7-chloranyl-5-(2-chlorophenyl)-2-(3-pyrrolidin-1-ylpropylsulfanyl)-3H-1,4-benzodiazepine

Systemtic Name: 7-chloranyl-5-(2-chlorophenyl)-2-(3-pyrrolidin-1-ylpropylsulfanyl)-3H-1,4-benzodiazepine Openeye Name: 7-chloro-5-(2-chlorophenyl)-2-(3-pyrrolidin-1-ylpropylsulfanyl)-3H-1,4-benzodiazepine CAS Name: 7-chloro-5-(2-chlorophenyl)-2-[3-(1-pyrrolidinyl)propylthio]-3H-1,4-benzodiazepine IUPAC Name: 7-chloro-5-(2-chlorophenyl)-2-(3-pyrrolidin-1-ylpropylsulfanyl)-3H-1,4-benzodiazepine Traditional Name: 7-chloro-5-(2-chlorophenyl)-2-(3-pyrrolidinopropylthio)-3H-1,4-benzodiazepine Formula: C22H23Cl2N3S MolecularWeight: 432.40912

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCCSC2=NC3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4Cl

Isomeric SMILES

C1CCN(C1)CCCSC2=NC3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4Cl

InChI

InChI=1S/C22H23Cl2N3S/c23-16-8-9-20-18(14-16)22(17-6-1-2-7-19(17)24)25-15-21(26-20)28-13-5-12-27-10-3-4-11-27/h1-2,6-9,14H,3-5,10-13,15H2