5-(2-chlorophenyl)-2-sulfanylidene-1,3-dihydro-1,4-benzodiazepine-7-carbonitrile

Systemtic Name: 5-(2-chlorophenyl)-2-sulfanylidene-1,3-dihydro-1,4-benzodiazepine-7-carbonitrile Openeye Name: 5-(2-chlorophenyl)-2-thioxo-1,3-dihydro-1,4-benzodiazepine-7-carbonitrile CAS Name: 5-(2-chlorophenyl)-2-sulfanylidene-1,3-dihydro-1,4-benzodiazepine-7-carbonitrile IUPAC Name: 5-(2-chlorophenyl)-2-sulfanylidene-1,3-dihydro-1,4-benzodiazepine-7-carbonitrile Traditional Name: 5-(2-chlorophenyl)-2-thioxo-1,3-dihydro-1,4-benzodiazepine-7-carbonitrile Formula: C16H10ClN3S MolecularWeight: 311.7887

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=S)NC2=C(C=C(C=C2)C#N)C(=N1)C3=CC=CC=C3Cl

Isomeric SMILES

C1C(=S)NC2=C(C=C(C=C2)C#N)C(=N1)C3=CC=CC=C3Cl

InChI

InChI=1S/C16H10ClN3S/c17-13-4-2-1-3-11(13)16-12-7-10(8-18)5-6-14(12)20-15(21)9-19-16/h1-7H,9H2,(H,20,21)