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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(C(C)CC)C(=O)CSC1=NNC(=C2C=NC3=CC=CC=C32)N1C4CC4

Isomeric SMILES

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

InChI

InChI=1S/C23H31N5OS/c1-5-15(3)27(16(4)6-2)21(29)14-30-23-26-25-22(28(23)17-11-12-17)19-13-24-20-10-8-7-9-18(19)20/h7-10,13,15-17,25H,5-6,11-12,14H2,1-4H3/t15-,16-/m1/s1