7-chloranyl-2-(phenylmethylsulfanyl)-4,5-dihydro-1H-1,3-benzodiazepin-8-ol

Systemtic Name: 7-chloranyl-2-(phenylmethylsulfanyl)-4,5-dihydro-1H-1,3-benzodiazepin-8-ol Openeye Name: 2-benzylsulfanyl-7-chloro-4,5-dihydro-1H-1,3-benzodiazepin-8-ol CAS Name: 7-chloro-2-(phenylmethylthio)-4,5-dihydro-1H-1,3-benzodiazepin-8-ol IUPAC Name: 2-benzylsulfanyl-7-chloro-4,5-dihydro-1H-1,3-benzodiazepin-8-ol Traditional Name: 2-(benzylthio)-7-chloro-4,5-dihydro-1H-1,3-benzodiazepin-8-ol Formula: C16H15ClN2OS MolecularWeight: 318.8211

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Descriptors Computed from Structure

Canonical SMILES:

C1CN=C(NC2=CC(=C(C=C21)Cl)O)SCC3=CC=CC=C3

Isomeric SMILES

C1CN=C(NC2=CC(=C(C=C21)Cl)O)SCC3=CC=CC=C3

InChI

InChI=1S/C16H15ClN2OS/c17-13-8-12-6-7-18-16(19-14(12)9-15(13)20)21-10-11-4-2-1-3-5-11/h1-5,8-9,20H,6-7,10H2,(H,18,19)