N-[4-(1-methyl-4,5-diphenyl-imidazol-2-yl)sulfanylbutyl]-3,5-dinitro-benzamide

Systemtic Name: N-[4-(1-methyl-4,5-diphenyl-imidazol-2-yl)sulfanylbutyl]-3,5-dinitro-benzamide Openeye Name: N-[4-(1-methyl-4,5-diphenyl-imidazol-2-yl)sulfanylbutyl]-3,5-dinitro-benzamide CAS Name: N-[4-[(1-methyl-4,5-diphenyl-2-imidazolyl)thio]butyl]-3,5-dinitrobenzamide IUPAC Name: N-[4-(1-methyl-4,5-diphenylimidazol-2-yl)sulfanylbutyl]-3,5-dinitrobenzamide Traditional Name: N-[4-[(1-methyl-4,5-diphenyl-imidazol-2-yl)thio]butyl]-3,5-dinitro-benzamide Formula: C27H25N5O5S MolecularWeight: 531.5829

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H25N5O5S/c1-30-25(20-12-6-3-7-13-20)24(19-10-4-2-5-11-19)29-27(30)38-15-9-8-14-28-26(33)21-16-22(31(34)35)18-23(17-21)32(36)37/h2-7,10-13,16-18H,8-9,14-15H2,1H3,(H,28,33)