(E)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)-3-[4-(2-hydroxyethylsulfanyl)-3-nitro-phenyl]prop-2-enenitrile

Systemtic Name: (E)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)-3-[4-(2-hydroxyethylsulfanyl)-3-nitro-phenyl]prop-2-enenitrile Openeye Name: (E)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)-3-[4-(2-hydroxyethylsulfanyl)-3-nitro-phenyl]prop-2-enenitrile CAS Name: (E)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)-3-[4-(2-hydroxyethylthio)-3-nitrophenyl]-2-propenenitrile IUPAC Name: (E)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)-3-[4-(2-hydroxyethylsulfanyl)-3-nitrophenyl]prop-2-enenitrile Traditional Name: (E)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)-3-[4-(2-hydroxyethylthio)-3-nitro-phenyl]acrylonitrile Formula: C20H18N4O3S MolecularWeight: 394.44692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N=C(N2)C(=CC3=CC(=C(C=C3)SCCO)[N+](=O)[O-])C#N

Isomeric SMILES

CC1=CC2=C(C=C1C)N=C(N2)/C(=C/C3=CC(=C(C=C3)SCCO)[N+](=O)[O-])/C#N

InChI

InChI=1S/C20H18N4O3S/c1-12-7-16-17(8-13(12)2)23-20(22-16)15(11-21)9-14-3-4-19(28-6-5-25)18(10-14)24(26)27/h3-4,7-10,25H,5-6H2,1-2H3,(H,22,23)/b15-9+