2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]butanamide

Systemtic Name: 2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]butanamide Openeye Name: 4-methylsulfanyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-(p-tolylsulfonylamino)butanamide CAS Name: 2-[(4-methylphenyl)sulfonylamino]-4-(methylthio)-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]butanamide IUPAC Name: 2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]butanamide Traditional Name: 4-(methylthio)-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-(tosylamino)butyramide Formula: C21H25N5O3S2 MolecularWeight: 459.5849

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CCSC)C(=O)NC2=CC=CC(=C2)C3=NN=CN3C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CCSC)C(=O)NC2=CC=CC(=C2)C3=NN=CN3C

InChI

InChI=1S/C21H25N5O3S2/c1-15-7-9-18(10-8-15)31(28,29)25-19(11-12-30-3)21(27)23-17-6-4-5-16(13-17)20-24-22-14-26(20)2/h4-10,13-14,19,25H,11-12H2,1-3H3,(H,23,27)