4-chloranyl-N-[2-(4,5-diphenyl-1-prop-2-enyl-imidazol-2-yl)sulfanylethyl]-3-nitro-benzamide

Systemtic Name: 4-chloranyl-N-[2-(4,5-diphenyl-1-prop-2-enyl-imidazol-2-yl)sulfanylethyl]-3-nitro-benzamide Openeye Name: N-[2-(1-allyl-4,5-diphenyl-imidazol-2-yl)sulfanylethyl]-4-chloro-3-nitro-benzamide CAS Name: 4-chloro-N-[2-[(4,5-diphenyl-1-prop-2-enyl-2-imidazolyl)thio]ethyl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[2-(4,5-diphenyl-1-prop-2-enylimidazol-2-yl)sulfanylethyl]-3-nitrobenzamide Traditional Name: N-[2-[(1-allyl-4,5-diphenyl-imidazol-2-yl)thio]ethyl]-4-chloro-3-nitro-benzamide Formula: C27H23ClN4O3S MolecularWeight: 519.01452

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=C(N=C1SCCNC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C=CCN1C(=C(N=C1SCCNC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H23ClN4O3S/c1-2-16-31-25(20-11-7-4-8-12-20)24(19-9-5-3-6-10-19)30-27(31)36-17-15-29-26(33)21-13-14-22(28)23(18-21)32(34)35/h2-14,18H,1,15-17H2,(H,29,33)