4-chloranyl-N-[3-[1-ethyl-4,5-bis(4-methylphenyl)imidazol-2-yl]sulfanylpropyl]-3-nitro-benzamide

Systemtic Name: 4-chloranyl-N-[3-[1-ethyl-4,5-bis(4-methylphenyl)imidazol-2-yl]sulfanylpropyl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[3-[1-ethyl-4,5-bis(p-tolyl)imidazol-2-yl]sulfanylpropyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[3-[[1-ethyl-4,5-bis(4-methylphenyl)-2-imidazolyl]thio]propyl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[3-[1-ethyl-4,5-bis(4-methylphenyl)imidazol-2-yl]sulfanylpropyl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[3-[[1-ethyl-4,5-bis(p-tolyl)imidazol-2-yl]thio]propyl]-3-nitro-benzamide Formula: C29H29ClN4O3S MolecularWeight: 549.08356

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(N=C1SCCCNC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C3=CC=C(C=C3)C)C4=CC=C(C=C4)C

Isomeric SMILES

CCN1C(=C(N=C1SCCCNC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C3=CC=C(C=C3)C)C4=CC=C(C=C4)C

InChI

InChI=1S/C29H29ClN4O3S/c1-4-33-27(22-12-8-20(3)9-13-22)26(21-10-6-19(2)7-11-21)32-29(33)38-17-5-16-31-28(35)23-14-15-24(30)25(18-23)34(36)37/h6-15,18H,4-5,16-17H2,1-3H3,(H,31,35)