2-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methylpiperidin-1-yl)ethanone

Systemtic Name: 2-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methylpiperidin-1-yl)ethanone Openeye Name: 2-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methyl-1-piperidyl)ethanone CAS Name: 2-[[4-cyclopropyl-5-(3-indolylidene)-1H-1,2,4-triazol-3-yl]thio]-1-(4-methyl-1-piperidinyl)ethanone IUPAC Name: 2-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methylpiperidin-1-yl)ethanone Traditional Name: 2-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)thio]-1-(4-methylpiperidino)ethanone Formula: C21H25N5OS MolecularWeight: 395.5211

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)CSC2=NNC(=C3C=NC4=CC=CC=C43)N2C5CC5

Isomeric SMILES

CC1CCN(CC1)C(=O)CSC2=NNC(=C3C=NC4=CC=CC=C43)N2C5CC5

InChI

InChI=1S/C21H25N5OS/c1-14-8-10-25(11-9-14)19(27)13-28-21-24-23-20(26(21)15-6-7-15)17-12-22-18-5-3-2-4-16(17)18/h2-5,12,14-15,23H,6-11,13H2,1H3