(2-oxidanylidene-4-phenyl-1,3-dihydro-1,5-benzodiazepin-3-yl) thiocyanate

Systemtic Name: (2-oxidanylidene-4-phenyl-1,3-dihydro-1,5-benzodiazepin-3-yl) thiocyanate Openeye Name: (2-oxo-4-phenyl-1,3-dihydro-1,5-benzodiazepin-3-yl) thiocyanate CAS Name: thiocyanic acid (2-oxo-4-phenyl-1,3-dihydro-1,5-benzodiazepin-3-yl) ester IUPAC Name: (2-oxo-4-phenyl-1,3-dihydro-1,5-benzodiazepin-3-yl) thiocyanate Traditional Name: thiocyanic acid (2-keto-4-phenyl-1,3-dihydro-1,5-benzodiazepin-3-yl) ester Formula: C16H11N3OS MolecularWeight: 293.34304

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3=CC=CC=C3NC(=O)C2SC#N

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=CC=CC=C3NC(=O)C2SC#N

InChI

InChI=1S/C16H11N3OS/c17-10-21-15-14(11-6-2-1-3-7-11)18-12-8-4-5-9-13(12)19-16(15)20/h1-9,15H,(H,19,20)