6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl-(4-phenylsulfanylphenyl)methanone

Systemtic Name: 6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl-(4-phenylsulfanylphenyl)methanone Openeye Name: 6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl-(4-phenylsulfanylphenyl)methanone CAS Name: 6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl-[4-(phenylthio)phenyl]methanone IUPAC Name: 6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl-(4-phenylsulfanylphenyl)methanone Traditional Name: 6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl-[4-(phenylthio)phenyl]methanone Formula: C25H20N2OS MolecularWeight: 396.5041

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2N(CC3=CC=CN31)C(=O)C4=CC=C(C=C4)SC5=CC=CC=C5

Isomeric SMILES

C1C2=CC=CC=C2N(CC3=CC=CN31)C(=O)C4=CC=C(C=C4)SC5=CC=CC=C5

InChI

InChI=1S/C25H20N2OS/c28-25(19-12-14-23(15-13-19)29-22-9-2-1-3-10-22)27-18-21-8-6-16-26(21)17-20-7-4-5-11-24(20)27/h1-16H,17-18H2