2-naphthalen-2-ylcarbonyl-3-(6-nitro-2-sulfanylidene-3H-benzimidazol-1-yl)prop-2-enenitrile

Systemtic Name: 2-naphthalen-2-ylcarbonyl-3-(6-nitro-2-sulfanylidene-3H-benzimidazol-1-yl)prop-2-enenitrile Openeye Name: 2-(naphthalene-2-carbonyl)-3-(6-nitro-2-thioxo-3H-benzimidazol-1-yl)prop-2-enenitrile CAS Name: 2-[2-naphthalenyl(oxo)methyl]-3-(6-nitro-2-sulfanylidene-3H-benzimidazol-1-yl)-2-propenenitrile IUPAC Name: 2-(naphthalene-2-carbonyl)-3-(6-nitro-2-sulfanylidene-3H-benzimidazol-1-yl)prop-2-enenitrile Traditional Name: 2-(2-naphthoyl)-3-(6-nitro-2-thioxo-3H-benzimidazol-1-yl)acrylonitrile Formula: C21H12N4O3S MolecularWeight: 400.40998

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)C(=O)C(=CN3C4=C(C=CC(=C4)[N+](=O)[O-])NC3=S)C#N

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)C(=O)C(=CN3C4=C(C=CC(=C4)[N+](=O)[O-])NC3=S)C#N

InChI

InChI=1S/C21H12N4O3S/c22-11-16(20(26)15-6-5-13-3-1-2-4-14(13)9-15)12-24-19-10-17(25(27)28)7-8-18(19)23-21(24)29/h1-10,12H,(H,23,29)