2-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(2S)-octan-2-yl]ethanamide

Systemtic Name: 2-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(2S)-octan-2-yl]ethanamide Openeye Name: 2-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(1S)-1-methylheptyl]acetamide CAS Name: 2-[[4-cyclopropyl-5-(3-indolylidene)-1H-1,2,4-triazol-3-yl]thio]-N-[(2S)-octan-2-yl]acetamide IUPAC Name: 2-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(2S)-octan-2-yl]acetamide Traditional Name: 2-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)thio]-N-[(1S)-1-methylheptyl]acetamide Formula: C23H31N5OS MolecularWeight: 425.59014

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)NC(=O)CSC1=NNC(=C2C=NC3=CC=CC=C32)N1C4CC4

Isomeric SMILES

CCCCCC[C@H](C)NC(=O)CSC1=NNC(=C2C=NC3=CC=CC=C32)N1C4CC4

InChI

InChI=1S/C23H31N5OS/c1-3-4-5-6-9-16(2)25-21(29)15-30-23-27-26-22(28(23)17-12-13-17)19-14-24-20-11-8-7-10-18(19)20/h7-8,10-11,14,16-17,26H,3-6,9,12-13,15H2,1-2H3,(H,25,29)/t16-/m0/s1