N-[2-[[4-(3,4-dimethylphenyl)sulfanylphenyl]amino]-2-oxidanylidene-ethyl]-1-methyl-4-nitro-pyrrole-2-carboxamide

Systemtic Name: N-[2-[[4-(3,4-dimethylphenyl)sulfanylphenyl]amino]-2-oxidanylidene-ethyl]-1-methyl-4-nitro-pyrrole-2-carboxamide Openeye Name: N-[2-[4-(3,4-dimethylphenyl)sulfanylanilino]-2-oxo-ethyl]-1-methyl-4-nitro-pyrrole-2-carboxamide CAS Name: N-[2-[4-[(3,4-dimethylphenyl)thio]anilino]-2-oxoethyl]-1-methyl-4-nitro-2-pyrrolecarboxamide IUPAC Name: N-[2-[4-(3,4-dimethylphenyl)sulfanylanilino]-2-oxoethyl]-1-methyl-4-nitropyrrole-2-carboxamide Traditional Name: N-[2-[4-[(3,4-dimethylphenyl)thio]anilino]-2-keto-ethyl]-1-methyl-4-nitro-pyrrole-2-carboxamide Formula: C22H22N4O4S MolecularWeight: 438.49948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SC2=CC=C(C=C2)NC(=O)CNC(=O)C3=CC(=CN3C)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)SC2=CC=C(C=C2)NC(=O)CNC(=O)C3=CC(=CN3C)[N+](=O)[O-])C

InChI

InChI=1S/C22H22N4O4S/c1-14-4-7-19(10-15(14)2)31-18-8-5-16(6-9-18)24-21(27)12-23-22(28)20-11-17(26(29)30)13-25(20)3/h4-11,13H,12H2,1-3H3,(H,23,28)(H,24,27)