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

Systemtic Name: 4-phenyl-2-(phenylmethylsulfanyl)-3H-1,4-benzodiazepin-5-one Openeye Name: 2-benzylsulfanyl-4-phenyl-3H-1,4-benzodiazepin-5-one CAS Name: 4-phenyl-2-(phenylmethylthio)-3H-1,4-benzodiazepin-5-one IUPAC Name: 2-benzylsulfanyl-4-phenyl-3H-1,4-benzodiazepin-5-one Traditional Name: 2-(benzylthio)-4-phenyl-3H-1,4-benzodiazepin-5-one Formula: C22H18N2OS MolecularWeight: 358.45612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(=NC2=CC=CC=C2C(=O)N1C3=CC=CC=C3)SCC4=CC=CC=C4

Isomeric SMILES

C1C(=NC2=CC=CC=C2C(=O)N1C3=CC=CC=C3)SCC4=CC=CC=C4

InChI

InChI=1S/C22H18N2OS/c25-22-19-13-7-8-14-20(19)23-21(26-16-17-9-3-1-4-10-17)15-24(22)18-11-5-2-6-12-18/h1-14H,15-16H2