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

Systemtic Name: 2-azanyl-5-(4-methylsulfonylphenyl)-3H-1,4-benzodiazepine-7-carbonitrile Openeye Name: 2-amino-5-(4-methylsulfonylphenyl)-3H-1,4-benzodiazepine-7-carbonitrile CAS Name: 2-amino-5-(4-methylsulfonylphenyl)-3H-1,4-benzodiazepine-7-carbonitrile IUPAC Name: 2-amino-5-(4-methylsulfonylphenyl)-3H-1,4-benzodiazepine-7-carbonitrile Traditional Name: 2-amino-5-(4-mesylphenyl)-3H-1,4-benzodiazepine-7-carbonitrile Formula: C17H14N4O2S MolecularWeight: 338.38366

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)N

Isomeric SMILES

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

InChI

InChI=1S/C17H14N4O2S/c1-24(22,23)13-5-3-12(4-6-13)17-14-8-11(9-18)2-7-15(14)21-16(19)10-20-17/h2-8H,10H2,1H3,(H2,19,21)