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

Systemtic Name: 2-[2-(3-azanyl-5-phenethylsulfanyl-1,2,4-triazol-4-yl)propanoylamino]-4-(4-methylphenyl)thiophene-3-carboxamide Openeye Name: 2-[2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)propanoylamino]-4-(p-tolyl)thiophene-3-carboxamide CAS Name: 2-[[2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]-1-oxopropyl]amino]-4-(4-methylphenyl)-3-thiophenecarboxamide IUPAC Name: 2-[2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)propanoylamino]-4-(4-methylphenyl)thiophene-3-carboxamide Traditional Name: 2-[2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]propanoylamino]-4-(p-tolyl)thiophene-3-carboxamide Formula: C25H26N6O2S2 MolecularWeight: 506.64294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC(=C2C(=O)N)NC(=O)C(C)N3C(=NN=C3SCCC4=CC=CC=C4)N

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC(=C2C(=O)N)NC(=O)C(C)N3C(=NN=C3SCCC4=CC=CC=C4)N

InChI

InChI=1S/C25H26N6O2S2/c1-15-8-10-18(11-9-15)19-14-35-23(20(19)21(26)32)28-22(33)16(2)31-24(27)29-30-25(31)34-13-12-17-6-4-3-5-7-17/h3-11,14,16H,12-13H2,1-2H3,(H2,26,32)(H2,27,29)(H,28,33)