4-[[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-3-nitro-benzamide

Systemtic Name: 4-[[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-3-nitro-benzamide Openeye Name: 4-[[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-3-nitro-benzamide CAS Name: 4-[[[1-(2,3-dimethylphenyl)-2-imidazolyl]thio]methyl]-3-nitrobenzamide IUPAC Name: 4-[[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-3-nitrobenzamide Traditional Name: 4-[[[1-(2,3-dimethylphenyl)imidazol-2-yl]thio]methyl]-3-nitro-benzamide Formula: C19H18N4O3S MolecularWeight: 382.43622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2C=CN=C2SCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C(=CC=C1)N2C=CN=C2SCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-])C

InChI

InChI=1S/C19H18N4O3S/c1-12-4-3-5-16(13(12)2)22-9-8-21-19(22)27-11-15-7-6-14(18(20)24)10-17(15)23(25)26/h3-10H,11H2,1-2H3,(H2,20,24)