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

Systemtic Name: 2-[2-(3-azanyl-5-methylsulfanyl-1,2,4-triazol-4-yl)butanoylamino]-4-(4-methylphenyl)thiophene-3-carboxamide Openeye Name: 2-[2-(3-amino-5-methylsulfanyl-1,2,4-triazol-4-yl)butanoylamino]-4-(p-tolyl)thiophene-3-carboxamide CAS Name: 2-[[2-[3-amino-5-(methylthio)-1,2,4-triazol-4-yl]-1-oxobutyl]amino]-4-(4-methylphenyl)-3-thiophenecarboxamide IUPAC Name: 2-[2-(3-amino-5-methylsulfanyl-1,2,4-triazol-4-yl)butanoylamino]-4-(4-methylphenyl)thiophene-3-carboxamide Traditional Name: 2-[2-[3-amino-5-(methylthio)-1,2,4-triazol-4-yl]butanoylamino]-4-(p-tolyl)thiophene-3-carboxamide Formula: C19H22N6O2S2 MolecularWeight: 430.54698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C(=CS1)C2=CC=C(C=C2)C)C(=O)N)N3C(=NN=C3SC)N

Isomeric SMILES

CCC(C(=O)NC1=C(C(=CS1)C2=CC=C(C=C2)C)C(=O)N)N3C(=NN=C3SC)N

InChI

InChI=1S/C19H22N6O2S2/c1-4-13(25-18(21)23-24-19(25)28-3)16(27)22-17-14(15(20)26)12(9-29-17)11-7-5-10(2)6-8-11/h5-9,13H,4H2,1-3H3,(H2,20,26)(H2,21,23)(H,22,27)