2-chloranyl-N-[4-(1-methyl-4,5-diphenyl-imidazol-2-yl)sulfanylbutyl]-4-nitro-benzamide

Systemtic Name: 2-chloranyl-N-[4-(1-methyl-4,5-diphenyl-imidazol-2-yl)sulfanylbutyl]-4-nitro-benzamide Openeye Name: 2-chloro-N-[4-(1-methyl-4,5-diphenyl-imidazol-2-yl)sulfanylbutyl]-4-nitro-benzamide CAS Name: 2-chloro-N-[4-[(1-methyl-4,5-diphenyl-2-imidazolyl)thio]butyl]-4-nitrobenzamide IUPAC Name: 2-chloro-N-[4-(1-methyl-4,5-diphenylimidazol-2-yl)sulfanylbutyl]-4-nitrobenzamide Traditional Name: 2-chloro-N-[4-[(1-methyl-4,5-diphenyl-imidazol-2-yl)thio]butyl]-4-nitro-benzamide Formula: C27H25ClN4O3S MolecularWeight: 521.0304

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(N=C1SCCCCNC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CN1C(=C(N=C1SCCCCNC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H25ClN4O3S/c1-31-25(20-12-6-3-7-13-20)24(19-10-4-2-5-11-19)30-27(31)36-17-9-8-16-29-26(33)22-15-14-21(32(34)35)18-23(22)28/h2-7,10-15,18H,8-9,16-17H2,1H3,(H,29,33)