2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methoxyphenyl)propan-1-one

Systemtic Name: 2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methoxyphenyl)propan-1-one Openeye Name: 2-[[4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methoxyphenyl)propan-1-one CAS Name: 2-[[4-cyclopropyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-1-(4-methoxyphenyl)-1-propanone IUPAC Name: 2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methoxyphenyl)propan-1-one Traditional Name: 2-[[4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-1-(4-methoxyphenyl)propan-1-one Formula: C20H20N4O2S MolecularWeight: 380.4634

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)OC)SC2=NN=C(N2C3CC3)C4=CN=CC=C4

Isomeric SMILES

CC(C(=O)C1=CC=C(C=C1)OC)SC2=NN=C(N2C3CC3)C4=CN=CC=C4

InChI

InChI=1S/C20H20N4O2S/c1-13(18(25)14-5-9-17(26-2)10-6-14)27-20-23-22-19(24(20)16-7-8-16)15-4-3-11-21-12-15/h3-6,9-13,16H,7-8H2,1-2H3