(E)-2-(1H-benzimidazol-2-yl)-3-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)prop-2-enenitrile

Systemtic Name: (E)-2-(1H-benzimidazol-2-yl)-3-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)prop-2-enenitrile Openeye Name: (E)-2-(1H-benzimidazol-2-yl)-3-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)prop-2-enenitrile CAS Name: (E)-2-(1H-benzimidazol-2-yl)-3-[3-nitro-4-(2-pyrimidinylthio)phenyl]-2-propenenitrile IUPAC Name: (E)-2-(1H-benzimidazol-2-yl)-3-(3-nitro-4-pyrimidin-2-ylsulfanylphenyl)prop-2-enenitrile Traditional Name: (E)-2-(1H-benzimidazol-2-yl)-3-[3-nitro-4-(2-pyrimidylthio)phenyl]acrylonitrile Formula: C20H12N6O2S MolecularWeight: 400.41328

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)C(=CC3=CC(=C(C=C3)SC4=NC=CC=N4)[N+](=O)[O-])C#N

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)/C(=C/C3=CC(=C(C=C3)SC4=NC=CC=N4)[N+](=O)[O-])/C#N

InChI

InChI=1S/C20H12N6O2S/c21-12-14(19-24-15-4-1-2-5-16(15)25-19)10-13-6-7-18(17(11-13)26(27)28)29-20-22-8-3-9-23-20/h1-11H,(H,24,25)/b14-10+