(3E)-5-phenyl-3-(sulfanylmethylidene)-4H-1,4-benzodiazepin-2-one

Systemtic Name: (3E)-5-phenyl-3-(sulfanylmethylidene)-4H-1,4-benzodiazepin-2-one Openeye Name: (3E)-5-phenyl-3-(sulfanylmethylene)-4H-1,4-benzodiazepin-2-one CAS Name: (3E)-3-(mercaptomethylidene)-5-phenyl-4H-1,4-benzodiazepin-2-one IUPAC Name: (3E)-5-phenyl-3-(sulfanylmethylidene)-4H-1,4-benzodiazepin-2-one Traditional Name: (3E)-3-(mercaptomethylene)-5-phenyl-4H-1,4-benzodiazepin-2-one Formula: C16H12N2OS MolecularWeight: 280.34428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=CC=CC3=NC(=O)C(=CS)N2

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=CC=CC3=NC(=O)/C(=C\S)/N2

InChI

InChI=1S/C16H12N2OS/c19-16-14(10-20)17-15(11-6-2-1-3-7-11)12-8-4-5-9-13(12)18-16/h1-10,17,20H/b14-10+