4-chloranyl-5-(1,3-dithian-2-ylidenemethyl)-2-(4-nitrophenyl)-1-(phenylmethyl)imidazole

Systemtic Name: 4-chloranyl-5-(1,3-dithian-2-ylidenemethyl)-2-(4-nitrophenyl)-1-(phenylmethyl)imidazole Openeye Name: 1-benzyl-4-chloro-5-(1,3-dithian-2-ylidenemethyl)-2-(4-nitrophenyl)imidazole CAS Name: 4-chloro-5-(1,3-dithian-2-ylidenemethyl)-2-(4-nitrophenyl)-1-(phenylmethyl)imidazole IUPAC Name: 1-benzyl-4-chloro-5-(1,3-dithian-2-ylidenemethyl)-2-(4-nitrophenyl)imidazole Traditional Name: 1-benzyl-4-chloro-5-(1,3-dithian-2-ylidenemethyl)-2-(4-nitrophenyl)imidazole Formula: C21H18ClN3O2S2 MolecularWeight: 443.96952

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(=CC2=C(N=C(N2CC3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-])Cl)SC1

Isomeric SMILES

C1CSC(=CC2=C(N=C(N2CC3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-])Cl)SC1

InChI

InChI=1S/C21H18ClN3O2S2/c22-20-18(13-19-28-11-4-12-29-19)24(14-15-5-2-1-3-6-15)21(23-20)16-7-9-17(10-8-16)25(26)27/h1-3,5-10,13H,4,11-12,14H2