S-[(3Z)-1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxidanylidene-ethyl]-3-[[1-[2-(dimethylamino)-2-oxidanylidene-ethyl]pyrazol-3-yl]methylidene]piperidin-4-yl] ethanethioate

Systemtic Name: S-[(3Z)-1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxidanylidene-ethyl]-3-[[1-[2-(dimethylamino)-2-oxidanylidene-ethyl]pyrazol-3-yl]methylidene]piperidin-4-yl] ethanethioate Openeye Name: S-[(3Z)-1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxo-ethyl]-3-[[1-[2-(dimethylamino)-2-oxo-ethyl]pyrazol-3-yl]methylene]-4-piperidyl] ethanethioate CAS Name: ethanethioic acid S-[(3Z)-1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-3-[[1-[2-(dimethylamino)-2-oxoethyl]-3-pyrazolyl]methylidene]-4-piperidinyl] ester IUPAC Name: S-[(3Z)-1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-3-[[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-3-yl]methylidene]piperidin-4-yl] ethanethioate Traditional Name: ethanethioic acid S-[(3Z)-1-[2-cyclopropyl-1-(2-fluorophenyl)-2-keto-ethyl]-3-[[1-[2-(dimethylamino)-2-keto-ethyl]pyrazol-3-yl]methylene]-4-piperidyl] ester Formula: C26H31FN4O3S MolecularWeight: 498.612743

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1CCN(CC1=CC2=NN(C=C2)CC(=O)N(C)C)C(C3=CC=CC=C3F)C(=O)C4CC4

Isomeric SMILES

CC(=O)SC\1CCN(C/C1=C/C2=NN(C=C2)CC(=O)N(C)C)C(C3=CC=CC=C3F)C(=O)C4CC4

InChI

InChI=1S/C26H31FN4O3S/c1-17(32)35-23-11-12-30(25(26(34)18-8-9-18)21-6-4-5-7-22(21)27)15-19(23)14-20-10-13-31(28-20)16-24(33)29(2)3/h4-7,10,13-14,18,23,25H,8-9,11-12,15-16H2,1-3H3/b19-14-