N-[4-[1-ethyl-4,5-bis(4-methoxyphenyl)imidazol-2-yl]sulfanylbutyl]-3,5-dinitro-benzamide

Systemtic Name: N-[4-[1-ethyl-4,5-bis(4-methoxyphenyl)imidazol-2-yl]sulfanylbutyl]-3,5-dinitro-benzamide Openeye Name: N-[4-[1-ethyl-4,5-bis(4-methoxyphenyl)imidazol-2-yl]sulfanylbutyl]-3,5-dinitro-benzamide CAS Name: N-[4-[[1-ethyl-4,5-bis(4-methoxyphenyl)-2-imidazolyl]thio]butyl]-3,5-dinitrobenzamide IUPAC Name: N-[4-[1-ethyl-4,5-bis(4-methoxyphenyl)imidazol-2-yl]sulfanylbutyl]-3,5-dinitrobenzamide Traditional Name: N-[4-[[1-ethyl-4,5-bis(4-methoxyphenyl)imidazol-2-yl]thio]butyl]-3,5-dinitro-benzamide Formula: C30H31N5O7S MolecularWeight: 605.66144

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(N=C1SCCCCNC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC

Isomeric SMILES

CCN1C(=C(N=C1SCCCCNC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC

InChI

InChI=1S/C30H31N5O7S/c1-4-33-28(21-9-13-26(42-3)14-10-21)27(20-7-11-25(41-2)12-8-20)32-30(33)43-16-6-5-15-31-29(36)22-17-23(34(37)38)19-24(18-22)35(39)40/h7-14,17-19H,4-6,15-16H2,1-3H3,(H,31,36)