(3R)-3-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]butan-2-one

Systemtic Name: (3R)-3-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]butan-2-one Openeye Name: (3R)-3-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]butan-2-one CAS Name: (3R)-3-[[4-cyclopropyl-5-(3-indolylidene)-1H-1,2,4-triazol-3-yl]thio]-2-butanone IUPAC Name: (3R)-3-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]butan-2-one Traditional Name: (3R)-3-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)thio]butan-2-one Formula: C17H18N4OS MolecularWeight: 326.41602

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C)SC1=NNC(=C2C=NC3=CC=CC=C32)N1C4CC4

Isomeric SMILES

C[C@H](C(=O)C)SC1=NNC(=C2C=NC3=CC=CC=C32)N1C4CC4

InChI

InChI=1S/C17H18N4OS/c1-10(22)11(2)23-17-20-19-16(21(17)12-7-8-12)14-9-18-15-6-4-3-5-13(14)15/h3-6,9,11-12,19H,7-8H2,1-2H3/t11-/m1/s1