1-[(Z)-1-methylsulfanylprop-1-en-2-yl]-3-[(4-nitrophenyl)methyl]benzimidazol-2-one

Systemtic Name: 1-[(Z)-1-methylsulfanylprop-1-en-2-yl]-3-[(4-nitrophenyl)methyl]benzimidazol-2-one Openeye Name: 1-[(Z)-1-methyl-2-methylsulfanyl-vinyl]-3-[(4-nitrophenyl)methyl]benzimidazol-2-one CAS Name: 1-[(Z)-1-(methylthio)prop-1-en-2-yl]-3-[(4-nitrophenyl)methyl]-2-benzimidazolone IUPAC Name: 1-[(Z)-1-methylsulfanylprop-1-en-2-yl]-3-[(4-nitrophenyl)methyl]benzimidazol-2-one Traditional Name: 1-[(Z)-1-methyl-2-(methylthio)vinyl]-3-(4-nitrobenzyl)benzimidazol-2-one Formula: C18H17N3O3S MolecularWeight: 355.41088

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CSC)N1C2=CC=CC=C2N(C1=O)CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C/C(=C/SC)/N1C2=CC=CC=C2N(C1=O)CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O3S/c1-13(12-25-2)20-17-6-4-3-5-16(17)19(18(20)22)11-14-7-9-15(10-8-14)21(23)24/h3-10,12H,11H2,1-2H3/b13-12-