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

Systemtic Name: 7-chloranyl-5-(2-chlorophenyl)-2-(2-pyrrolidin-1-ylethylsulfanyl)-3H-1,4-benzodiazepine Openeye Name: 7-chloro-5-(2-chlorophenyl)-2-(2-pyrrolidin-1-ylethylsulfanyl)-3H-1,4-benzodiazepine CAS Name: 7-chloro-5-(2-chlorophenyl)-2-[2-(1-pyrrolidinyl)ethylthio]-3H-1,4-benzodiazepine IUPAC Name: 7-chloro-5-(2-chlorophenyl)-2-(2-pyrrolidin-1-ylethylsulfanyl)-3H-1,4-benzodiazepine Traditional Name: 7-chloro-5-(2-chlorophenyl)-2-(2-pyrrolidinoethylthio)-3H-1,4-benzodiazepine Formula: C21H21Cl2N3S MolecularWeight: 418.38254

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCSC2=NC3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4Cl

Isomeric SMILES

C1CCN(C1)CCSC2=NC3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4Cl

InChI

InChI=1S/C21H21Cl2N3S/c22-15-7-8-19-17(13-15)21(16-5-1-2-6-18(16)23)24-14-20(25-19)27-12-11-26-9-3-4-10-26/h1-2,5-8,13H,3-4,9-12,14H2