2-azanyl-5-(4-methylsulfonylphenyl)-3H-1,4-benzodiazepine-7,8-dicarbonitrile

Systemtic Name: 2-azanyl-5-(4-methylsulfonylphenyl)-3H-1,4-benzodiazepine-7,8-dicarbonitrile Openeye Name: 2-amino-5-(4-methylsulfonylphenyl)-3H-1,4-benzodiazepine-7,8-dicarbonitrile CAS Name: 2-amino-5-(4-methylsulfonylphenyl)-3H-1,4-benzodiazepine-7,8-dicarbonitrile IUPAC Name: 2-amino-5-(4-methylsulfonylphenyl)-3H-1,4-benzodiazepine-7,8-dicarbonitrile Traditional Name: 2-amino-5-(4-mesylphenyl)-3H-1,4-benzodiazepine-7,8-dicarbonitrile Formula: C18H13N5O2S MolecularWeight: 363.39312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13N5O2S/c1-26(24,25)14-4-2-11(3-5-14)18-15-6-12(8-19)13(9-20)7-16(15)23-17(21)10-22-18/h2-7H,10H2,1H3,(H2,21,23)