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

Systemtic Name: 2-[2-(3-azanyl-5-methylsulfanyl-1,2,4-triazol-4-yl)propanoylamino]-4-(4-methylphenyl)thiophene-3-carboxamide Openeye Name: 2-[2-(3-amino-5-methylsulfanyl-1,2,4-triazol-4-yl)propanoylamino]-4-(p-tolyl)thiophene-3-carboxamide CAS Name: 2-[[2-[3-amino-5-(methylthio)-1,2,4-triazol-4-yl]-1-oxopropyl]amino]-4-(4-methylphenyl)-3-thiophenecarboxamide IUPAC Name: 2-[2-(3-amino-5-methylsulfanyl-1,2,4-triazol-4-yl)propanoylamino]-4-(4-methylphenyl)thiophene-3-carboxamide Traditional Name: 2-[2-[3-amino-5-(methylthio)-1,2,4-triazol-4-yl]propanoylamino]-4-(p-tolyl)thiophene-3-carboxamide Formula: C18H20N6O2S2 MolecularWeight: 416.5204

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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=C3SC)N

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC(=C2C(=O)N)NC(=O)C(C)N3C(=NN=C3SC)N

InChI

InChI=1S/C18H20N6O2S2/c1-9-4-6-11(7-5-9)12-8-28-16(13(12)14(19)25)21-15(26)10(2)24-17(20)22-23-18(24)27-3/h4-8,10H,1-3H3,(H2,19,25)(H2,20,22)(H,21,26)