(4-nitrophenyl)-[2-(phenylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]methanone

Systemtic Name: (4-nitrophenyl)-[2-(phenylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]methanone Openeye Name: (2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-(4-nitrophenyl)methanone CAS Name: (4-nitrophenyl)-[2-(phenylmethylthio)-4,5-dihydroimidazol-1-yl]methanone IUPAC Name: (2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-(4-nitrophenyl)methanone Traditional Name: [2-(benzylthio)-2-imidazolin-1-yl]-(4-nitrophenyl)methanone Formula: C17H15N3O3S MolecularWeight: 341.3843

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=N1)SCC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(C(=N1)SCC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H15N3O3S/c21-16(14-6-8-15(9-7-14)20(22)23)19-11-10-18-17(19)24-12-13-4-2-1-3-5-13/h1-9H,10-12H2