2-[2-(3-azanyl-5-phenethylsulfanyl-1,2,4-triazol-4-yl)butanoylamino]-4-(4-methylphenyl)thiophene-3-carboxamide

Systemtic Name: 2-[2-(3-azanyl-5-phenethylsulfanyl-1,2,4-triazol-4-yl)butanoylamino]-4-(4-methylphenyl)thiophene-3-carboxamide Openeye Name: 2-[2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)butanoylamino]-4-(p-tolyl)thiophene-3-carboxamide CAS Name: 2-[[2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]-1-oxobutyl]amino]-4-(4-methylphenyl)-3-thiophenecarboxamide IUPAC Name: 2-[2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)butanoylamino]-4-(4-methylphenyl)thiophene-3-carboxamide Traditional Name: 2-[2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]butanoylamino]-4-(p-tolyl)thiophene-3-carboxamide Formula: C26H28N6O2S2 MolecularWeight: 520.66952

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C(=CS1)C2=CC=C(C=C2)C)C(=O)N)N3C(=NN=C3SCCC4=CC=CC=C4)N

Isomeric SMILES

CCC(C(=O)NC1=C(C(=CS1)C2=CC=C(C=C2)C)C(=O)N)N3C(=NN=C3SCCC4=CC=CC=C4)N

InChI

InChI=1S/C26H28N6O2S2/c1-3-20(32-25(28)30-31-26(32)35-14-13-17-7-5-4-6-8-17)23(34)29-24-21(22(27)33)19(15-36-24)18-11-9-16(2)10-12-18/h4-12,15,20H,3,13-14H2,1-2H3,(H2,27,33)(H2,28,30)(H,29,34)