2-(6-nitro-2-sulfanylidene-1,3-dihydro-1,4-benzodiazepin-5-yl)benzenecarbonitrile

Systemtic Name: 2-(6-nitro-2-sulfanylidene-1,3-dihydro-1,4-benzodiazepin-5-yl)benzenecarbonitrile Openeye Name: 2-(6-nitro-2-thioxo-1,3-dihydro-1,4-benzodiazepin-5-yl)benzonitrile CAS Name: 2-(6-nitro-2-sulfanylidene-1,3-dihydro-1,4-benzodiazepin-5-yl)benzonitrile IUPAC Name: 2-(6-nitro-2-sulfanylidene-1,3-dihydro-1,4-benzodiazepin-5-yl)benzonitrile Traditional Name: 2-(6-nitro-2-thioxo-1,3-dihydro-1,4-benzodiazepin-5-yl)benzonitrile Formula: C16H10N4O2S MolecularWeight: 322.3412

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=S)NC2=C(C(=CC=C2)[N+](=O)[O-])C(=N1)C3=CC=CC=C3C#N

Isomeric SMILES

C1C(=S)NC2=C(C(=CC=C2)[N+](=O)[O-])C(=N1)C3=CC=CC=C3C#N

InChI

InChI=1S/C16H10N4O2S/c17-8-10-4-1-2-5-11(10)16-15-12(19-14(23)9-18-16)6-3-7-13(15)20(21)22/h1-7H,9H2,(H,19,23)