7-chloranyl-3-methyl-1-(3-methylsulfinylpropyl)-5-phenyl-3H-1,4-benzodiazepin-2-one

Systemtic Name: 7-chloranyl-3-methyl-1-(3-methylsulfinylpropyl)-5-phenyl-3H-1,4-benzodiazepin-2-one Openeye Name: 7-chloro-3-methyl-1-(3-methylsulfinylpropyl)-5-phenyl-3H-1,4-benzodiazepin-2-one CAS Name: 7-chloro-3-methyl-1-(3-methylsulfinylpropyl)-5-phenyl-3H-1,4-benzodiazepin-2-one IUPAC Name: 7-chloro-3-methyl-1-(3-methylsulfinylpropyl)-5-phenyl-3H-1,4-benzodiazepin-2-one Traditional Name: 7-chloro-3-methyl-1-(3-methylsulfinylpropyl)-5-phenyl-3H-1,4-benzodiazepin-2-one Formula: C20H21ClN2O2S MolecularWeight: 388.91094

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3)CCCS(=O)C

Isomeric SMILES

CC1C(=O)N(C2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3)CCCS(=O)C

InChI

InChI=1S/C20H21ClN2O2S/c1-14-20(24)23(11-6-12-26(2)25)18-10-9-16(21)13-17(18)19(22-14)15-7-4-3-5-8-15/h3-5,7-10,13-14H,6,11-12H2,1-2H3