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

Systemtic Name: 4-[[1-(4-bromophenyl)imidazol-2-yl]sulfanylmethyl]-3-nitro-benzamide Openeye Name: 4-[[1-(4-bromophenyl)imidazol-2-yl]sulfanylmethyl]-3-nitro-benzamide CAS Name: 4-[[[1-(4-bromophenyl)-2-imidazolyl]thio]methyl]-3-nitrobenzamide IUPAC Name: 4-[[1-(4-bromophenyl)imidazol-2-yl]sulfanylmethyl]-3-nitrobenzamide Traditional Name: 4-[[[1-(4-bromophenyl)imidazol-2-yl]thio]methyl]-3-nitro-benzamide Formula: C17H13BrN4O3S MolecularWeight: 433.27912

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C=CN=C2SCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-])Br

Isomeric SMILES

C1=CC(=CC=C1N2C=CN=C2SCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-])Br

InChI

InChI=1S/C17H13BrN4O3S/c18-13-3-5-14(6-4-13)21-8-7-20-17(21)26-10-12-2-1-11(16(19)23)9-15(12)22(24)25/h1-9H,10H2,(H2,19,23)