5-(4-methylsulfonylphenyl)-2-sulfanylidene-1,3-dihydro-1,4-benzodiazepine-7,8-dicarbonitrile

Systemtic Name: 5-(4-methylsulfonylphenyl)-2-sulfanylidene-1,3-dihydro-1,4-benzodiazepine-7,8-dicarbonitrile Openeye Name: 5-(4-methylsulfonylphenyl)-2-thioxo-1,3-dihydro-1,4-benzodiazepine-7,8-dicarbonitrile CAS Name: 5-(4-methylsulfonylphenyl)-2-sulfanylidene-1,3-dihydro-1,4-benzodiazepine-7,8-dicarbonitrile IUPAC Name: 5-(4-methylsulfonylphenyl)-2-sulfanylidene-1,3-dihydro-1,4-benzodiazepine-7,8-dicarbonitrile Traditional Name: 5-(4-mesylphenyl)-2-thioxo-1,3-dihydro-1,4-benzodiazepine-7,8-dicarbonitrile Formula: C18H12N4O2S2 MolecularWeight: 380.44348

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=NCC(=S)NC3=C2C=C(C(=C3)C#N)C#N

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=NCC(=S)NC3=C2C=C(C(=C3)C#N)C#N

InChI

InChI=1S/C18H12N4O2S2/c1-26(23,24)14-4-2-11(3-5-14)18-15-6-12(8-19)13(9-20)7-16(15)22-17(25)10-21-18/h2-7H,10H2,1H3,(H,22,25)