(2S)-2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(2-methyl-1H-indol-3-yl)propan-1-one

Systemtic Name: (2S)-2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(2-methyl-1H-indol-3-yl)propan-1-one Openeye Name: (2S)-2-[[4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(2-methyl-1H-indol-3-yl)propan-1-one CAS Name: (2S)-2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-1-(2-methyl-1H-indol-3-yl)-1-propanone IUPAC Name: (2S)-2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(2-methyl-1H-indol-3-yl)propan-1-one Traditional Name: (2S)-2-[[4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-1-(2-methyl-1H-indol-3-yl)propan-1-one Formula: C22H21N5OS MolecularWeight: 403.50004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(=O)C(C)SC3=NN=C(N3C4CC4)C5=CC=NC=C5

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)C(=O)[C@H](C)SC3=NN=C(N3C4CC4)C5=CC=NC=C5

InChI

InChI=1S/C22H21N5OS/c1-13-19(17-5-3-4-6-18(17)24-13)20(28)14(2)29-22-26-25-21(27(22)16-7-8-16)15-9-11-23-12-10-15/h3-6,9-12,14,16,24H,7-8H2,1-2H3/t14-/m0/s1