3-[4-(1-methylimidazol-2-yl)sulfanyl-3-nitro-phenyl]-2-(phenylcarbonyl)prop-2-enenitrile

Systemtic Name: 3-[4-(1-methylimidazol-2-yl)sulfanyl-3-nitro-phenyl]-2-(phenylcarbonyl)prop-2-enenitrile Openeye Name: 2-benzoyl-3-[4-(1-methylimidazol-2-yl)sulfanyl-3-nitro-phenyl]prop-2-enenitrile CAS Name: 2-benzoyl-3-[4-[(1-methyl-2-imidazolyl)thio]-3-nitrophenyl]-2-propenenitrile IUPAC Name: 2-benzoyl-3-[4-(1-methylimidazol-2-yl)sulfanyl-3-nitrophenyl]prop-2-enenitrile Traditional Name: 2-benzoyl-3-[4-[(1-methylimidazol-2-yl)thio]-3-nitro-phenyl]acrylonitrile Formula: C20H14N4O3S MolecularWeight: 390.41516

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SC2=C(C=C(C=C2)C=C(C#N)C(=O)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CN1C=CN=C1SC2=C(C=C(C=C2)C=C(C#N)C(=O)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H14N4O3S/c1-23-10-9-22-20(23)28-18-8-7-14(12-17(18)24(26)27)11-16(13-21)19(25)15-5-3-2-4-6-15/h2-12H,1H3