4-(4-chlorophenyl)-1-(2-pyrrolidin-1-ylethylsulfanyl)-2,3-dihydro-1,5-benzodiazepine

Systemtic Name: 4-(4-chlorophenyl)-1-(2-pyrrolidin-1-ylethylsulfanyl)-2,3-dihydro-1,5-benzodiazepine Openeye Name: 4-(4-chlorophenyl)-1-(2-pyrrolidin-1-ylethylsulfanyl)-2,3-dihydro-1,5-benzodiazepine CAS Name: 4-(4-chlorophenyl)-1-[2-(1-pyrrolidinyl)ethylthio]-2,3-dihydro-1,5-benzodiazepine IUPAC Name: 4-(4-chlorophenyl)-1-(2-pyrrolidin-1-ylethylsulfanyl)-2,3-dihydro-1,5-benzodiazepine Traditional Name: 4-(4-chlorophenyl)-1-(2-pyrrolidinoethylthio)-2,3-dihydro-1,5-benzodiazepine Formula: C21H24ClN3S MolecularWeight: 385.95336

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCSN2CCC(=NC3=CC=CC=C32)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCN(C1)CCSN2CCC(=NC3=CC=CC=C32)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H24ClN3S/c22-18-9-7-17(8-10-18)19-11-14-25(21-6-2-1-5-20(21)23-19)26-16-15-24-12-3-4-13-24/h1-2,5-10H,3-4,11-16H2