N-[2-(1-butyl-4,5-diphenyl-imidazol-2-yl)sulfanylethyl]-3-(4-nitrophenyl)prop-2-enamide

Systemtic Name: N-[2-(1-butyl-4,5-diphenyl-imidazol-2-yl)sulfanylethyl]-3-(4-nitrophenyl)prop-2-enamide Openeye Name: N-[2-(1-butyl-4,5-diphenyl-imidazol-2-yl)sulfanylethyl]-3-(4-nitrophenyl)prop-2-enamide CAS Name: N-[2-[(1-butyl-4,5-diphenyl-2-imidazolyl)thio]ethyl]-3-(4-nitrophenyl)-2-propenamide IUPAC Name: N-[2-(1-butyl-4,5-diphenylimidazol-2-yl)sulfanylethyl]-3-(4-nitrophenyl)prop-2-enamide Traditional Name: N-[2-[(1-butyl-4,5-diphenyl-imidazol-2-yl)thio]ethyl]-3-(4-nitrophenyl)acrylamide Formula: C30H30N4O3S MolecularWeight: 526.6492

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(N=C1SCCNC(=O)C=CC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCCCN1C(=C(N=C1SCCNC(=O)C=CC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C30H30N4O3S/c1-2-3-21-33-29(25-12-8-5-9-13-25)28(24-10-6-4-7-11-24)32-30(33)38-22-20-31-27(35)19-16-23-14-17-26(18-15-23)34(36)37/h4-19H,2-3,20-22H2,1H3,(H,31,35)