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

Systemtic Name: 4-chloranyl-N-[4-[1-ethyl-4,5-bis(4-methylphenyl)imidazol-2-yl]sulfanylbutyl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[4-[1-ethyl-4,5-bis(p-tolyl)imidazol-2-yl]sulfanylbutyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[4-[[1-ethyl-4,5-bis(4-methylphenyl)-2-imidazolyl]thio]butyl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[4-[1-ethyl-4,5-bis(4-methylphenyl)imidazol-2-yl]sulfanylbutyl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[4-[[1-ethyl-4,5-bis(p-tolyl)imidazol-2-yl]thio]butyl]-3-nitro-benzamide Formula: C30H31ClN4O3S MolecularWeight: 563.11014

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(N=C1SCCCCNC(=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=C1SCCCCNC(=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/C30H31ClN4O3S/c1-4-34-28(23-13-9-21(3)10-14-23)27(22-11-7-20(2)8-12-22)33-30(34)39-18-6-5-17-32-29(36)24-15-16-25(31)26(19-24)35(37)38/h7-16,19H,4-6,17-18H2,1-3H3,(H,32,36)