N-(cyclohexylcarbamoyl)-2-[[5-(3-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(cyclohexylcarbamoyl)-2-[[5-(3-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(cyclohexylcarbamoyl)-2-[[5-(m-tolyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-[(cyclohexylamino)-oxomethyl]-2-[[5-(3-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(cyclohexylcarbamoyl)-2-[[5-(3-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(cyclohexylcarbamoyl)-2-[[5-(m-tolyl)-4-propyl-1,2,4-triazol-3-yl]thio]acetamide Formula: C21H29N5O2S MolecularWeight: 415.55226

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1SCC(=O)NC(=O)NC2CCCCC2)C3=CC(=CC=C3)C

Isomeric SMILES

CCCN1C(=NN=C1SCC(=O)NC(=O)NC2CCCCC2)C3=CC(=CC=C3)C

InChI

InChI=1S/C21H29N5O2S/c1-3-12-26-19(16-9-7-8-15(2)13-16)24-25-21(26)29-14-18(27)23-20(28)22-17-10-5-4-6-11-17/h7-9,13,17H,3-6,10-12,14H2,1-2H3,(H2,22,23,27,28)