7-chloranyl-5-(2-methylphenyl)-1-(2-propylsulfinylethyl)-3H-1,4-benzodiazepin-2-one

Systemtic Name: 7-chloranyl-5-(2-methylphenyl)-1-(2-propylsulfinylethyl)-3H-1,4-benzodiazepin-2-one Openeye Name: 7-chloro-5-(o-tolyl)-1-(2-propylsulfinylethyl)-3H-1,4-benzodiazepin-2-one CAS Name: 7-chloro-5-(2-methylphenyl)-1-(2-propylsulfinylethyl)-3H-1,4-benzodiazepin-2-one IUPAC Name: 7-chloro-5-(2-methylphenyl)-1-(2-propylsulfinylethyl)-3H-1,4-benzodiazepin-2-one Traditional Name: 7-chloro-5-(o-tolyl)-1-(2-propylsulfinylethyl)-3H-1,4-benzodiazepin-2-one Formula: C21H23ClN2O2S MolecularWeight: 402.93752

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)CCN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3C

Isomeric SMILES

CCCS(=O)CCN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3C

InChI

InChI=1S/C21H23ClN2O2S/c1-3-11-27(26)12-10-24-19-9-8-16(22)13-18(19)21(23-14-20(24)25)17-7-5-4-6-15(17)2/h4-9,13H,3,10-12,14H2,1-2H3