2-[2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]thiophene-3-carboxamide

Systemtic Name: 2-[2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]thiophene-3-carboxamide Openeye Name: 2-[[2-[[5-phenyl-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]thiophene-3-carboxamide CAS Name: 2-[[2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]-3-thiophenecarboxamide IUPAC Name: 2-[[2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]thiophene-3-carboxamide Traditional Name: 2-[[2-[[5-phenyl-4-(p-tolyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]thiophene-3-carboxamide Formula: C22H19N5O2S2 MolecularWeight: 449.54856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=C(C=CS3)C(=O)N)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=C(C=CS3)C(=O)N)C4=CC=CC=C4

InChI

InChI=1S/C22H19N5O2S2/c1-14-7-9-16(10-8-14)27-20(15-5-3-2-4-6-15)25-26-22(27)31-13-18(28)24-21-17(19(23)29)11-12-30-21/h2-12H,13H2,1H3,(H2,23,29)(H,24,28)