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

Systemtic Name: (2S)-2-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylpropylcarbamoyl)propanamide Openeye Name: (2S)-2-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(isobutylcarbamoyl)propanamide CAS Name: (2S)-2-[[4-cyclopropyl-5-(3-indolylidene)-1H-1,2,4-triazol-3-yl]thio]-N-[(2-methylpropylamino)-oxomethyl]propanamide IUPAC Name: (2S)-2-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylpropylcarbamoyl)propanamide Traditional Name: (2S)-2-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)thio]-N-(isobutylcarbamoyl)propionamide Formula: C21H26N6O2S MolecularWeight: 426.53514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N6O2S/c1-12(2)10-23-20(29)24-19(28)13(3)30-21-26-25-18(27(21)14-8-9-14)16-11-22-17-7-5-4-6-15(16)17/h4-7,11-14,25H,8-10H2,1-3H3,(H2,23,24,28,29)/t13-/m0/s1