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

Systemtic Name: (E)-2-(1H-benzimidazol-2-yl)-3-[4-(2-hydroxyethylsulfanyl)-3-nitro-phenyl]prop-2-enenitrile Openeye Name: (E)-2-(1H-benzimidazol-2-yl)-3-[4-(2-hydroxyethylsulfanyl)-3-nitro-phenyl]prop-2-enenitrile CAS Name: (E)-2-(1H-benzimidazol-2-yl)-3-[4-(2-hydroxyethylthio)-3-nitrophenyl]-2-propenenitrile IUPAC Name: (E)-2-(1H-benzimidazol-2-yl)-3-[4-(2-hydroxyethylsulfanyl)-3-nitrophenyl]prop-2-enenitrile Traditional Name: (E)-2-(1H-benzimidazol-2-yl)-3-[4-(2-hydroxyethylthio)-3-nitro-phenyl]acrylonitrile Formula: C18H14N4O3S MolecularWeight: 366.39376

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)C(=CC3=CC(=C(C=C3)SCCO)[N+](=O)[O-])C#N

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)/C(=C/C3=CC(=C(C=C3)SCCO)[N+](=O)[O-])/C#N

InChI

InChI=1S/C18H14N4O3S/c19-11-13(18-20-14-3-1-2-4-15(14)21-18)9-12-5-6-17(26-8-7-23)16(10-12)22(24)25/h1-6,9-10,23H,7-8H2,(H,20,21)/b13-9+