2-[2-[(4-butyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoyl-propyl-amino]-N-(2-methylphenyl)ethanamide

Systemtic Name: 2-[2-[(4-butyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoyl-propyl-amino]-N-(2-methylphenyl)ethanamide Openeye Name: 2-[[2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]-propyl-amino]-N-(o-tolyl)acetamide CAS Name: 2-[[2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)thio]-1-oxoethyl]-propylamino]-N-(2-methylphenyl)acetamide IUPAC Name: 2-[[2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]-propylamino]-N-(2-methylphenyl)acetamide Traditional Name: 2-[[2-[(4-butyl-5-keto-1H-1,2,4-triazol-3-yl)thio]acetyl]-propyl-amino]-N-(o-tolyl)acetamide Formula: C20H29N5O3S MolecularWeight: 419.54096

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SCC(=O)N(CCC)CC(=O)NC2=CC=CC=C2C

Isomeric SMILES

CCCCN1C(=O)NN=C1SCC(=O)N(CCC)CC(=O)NC2=CC=CC=C2C

InChI

InChI=1S/C20H29N5O3S/c1-4-6-12-25-19(28)22-23-20(25)29-14-18(27)24(11-5-2)13-17(26)21-16-10-8-7-9-15(16)3/h7-10H,4-6,11-14H2,1-3H3,(H,21,26)(H,22,28)