5-phenyl-2-sulfanylidene-1,3-dihydro-1,4-benzodiazepine-7-carbonitrile

Systemtic Name: 5-phenyl-2-sulfanylidene-1,3-dihydro-1,4-benzodiazepine-7-carbonitrile Openeye Name: 5-phenyl-2-thioxo-1,3-dihydro-1,4-benzodiazepine-7-carbonitrile CAS Name: 5-phenyl-2-sulfanylidene-1,3-dihydro-1,4-benzodiazepine-7-carbonitrile IUPAC Name: 5-phenyl-2-sulfanylidene-1,3-dihydro-1,4-benzodiazepine-7-carbonitrile Traditional Name: 5-phenyl-2-thioxo-1,3-dihydro-1,4-benzodiazepine-7-carbonitrile Formula: C16H11N3S MolecularWeight: 277.34364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(=S)NC2=C(C=C(C=C2)C#N)C(=N1)C3=CC=CC=C3

Isomeric SMILES

C1C(=S)NC2=C(C=C(C=C2)C#N)C(=N1)C3=CC=CC=C3

InChI

InChI=1S/C16H11N3S/c17-9-11-6-7-14-13(8-11)16(18-10-15(20)19-14)12-4-2-1-3-5-12/h1-8H,10H2,(H,19,20)