2-(6-methyl-2,3-dinitro-phenyl)-3-(2-sulfanylidene-3H-benzimidazol-1-yl)prop-2-enenitrile

Systemtic Name: 2-(6-methyl-2,3-dinitro-phenyl)-3-(2-sulfanylidene-3H-benzimidazol-1-yl)prop-2-enenitrile Openeye Name: 2-(6-methyl-2,3-dinitro-phenyl)-3-(2-thioxo-3H-benzimidazol-1-yl)prop-2-enenitrile CAS Name: 2-(6-methyl-2,3-dinitrophenyl)-3-(2-sulfanylidene-3H-benzimidazol-1-yl)-2-propenenitrile IUPAC Name: 2-(6-methyl-2,3-dinitrophenyl)-3-(2-sulfanylidene-3H-benzimidazol-1-yl)prop-2-enenitrile Traditional Name: 2-(6-methyl-2,3-dinitro-phenyl)-3-(2-thioxo-3H-benzimidazol-1-yl)acrylonitrile Formula: C17H11N5O4S MolecularWeight: 381.36534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])C(=CN2C3=CC=CC=C3NC2=S)C#N

Isomeric SMILES

CC1=C(C(=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])C(=CN2C3=CC=CC=C3NC2=S)C#N

InChI

InChI=1S/C17H11N5O4S/c1-10-6-7-14(21(23)24)16(22(25)26)15(10)11(8-18)9-20-13-5-3-2-4-12(13)19-17(20)27/h2-7,9H,1H3,(H,19,27)