8-chloranyl-6-(2-chlorophenyl)-1-[4-(2-phenylsulfanylethyl)piperazin-1-yl]-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine

Systemtic Name: 8-chloranyl-6-(2-chlorophenyl)-1-[4-(2-phenylsulfanylethyl)piperazin-1-yl]-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine Openeye Name: 8-chloro-6-(2-chlorophenyl)-1-[4-(2-phenylsulfanylethyl)piperazin-1-yl]-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine CAS Name: 8-chloro-6-(2-chlorophenyl)-1-[4-[2-(phenylthio)ethyl]-1-piperazinyl]-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine IUPAC Name: 8-chloro-6-(2-chlorophenyl)-1-[4-(2-phenylsulfanylethyl)piperazin-1-yl]-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine Traditional Name: 8-chloro-6-(2-chlorophenyl)-1-[4-[2-(phenylthio)ethyl]piperazino]-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine Formula: C28H26Cl2N6S MolecularWeight: 549.51724

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCSC2=CC=CC=C2)C3=NN=C4N3C5=C(C=C(C=C5)Cl)C(=NC4)C6=CC=CC=C6Cl

Isomeric SMILES

C1CN(CCN1CCSC2=CC=CC=C2)C3=NN=C4N3C5=C(C=C(C=C5)Cl)C(=NC4)C6=CC=CC=C6Cl

InChI

InChI=1S/C28H26Cl2N6S/c29-20-10-11-25-23(18-20)27(22-8-4-5-9-24(22)30)31-19-26-32-33-28(36(25)26)35-14-12-34(13-15-35)16-17-37-21-6-2-1-3-7-21/h1-11,18H,12-17,19H2