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

Systemtic Name: N-(cyclopropylcarbamoyl)-2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(cyclopropylcarbamoyl)-2-[[5-phenyl-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-[(cyclopropylamino)-oxomethyl]-2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(cyclopropylcarbamoyl)-2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(cyclopropylcarbamoyl)-2-[[5-phenyl-4-(p-tolyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C21H21N5O2S MolecularWeight: 407.48874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC(=O)NC3CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC(=O)NC3CC3)C4=CC=CC=C4

InChI

InChI=1S/C21H21N5O2S/c1-14-7-11-17(12-8-14)26-19(15-5-3-2-4-6-15)24-25-21(26)29-13-18(27)23-20(28)22-16-9-10-16/h2-8,11-12,16H,9-10,13H2,1H3,(H2,22,23,27,28)