2-chloranyl-4-[(2,4-dimethoxyphenyl)methyl]-7-methylsulfanyl-3H-1,4-benzodiazepin-5-one

Systemtic Name: 2-chloranyl-4-[(2,4-dimethoxyphenyl)methyl]-7-methylsulfanyl-3H-1,4-benzodiazepin-5-one Openeye Name: 2-chloro-4-[(2,4-dimethoxyphenyl)methyl]-7-methylsulfanyl-3H-1,4-benzodiazepin-5-one CAS Name: 2-chloro-4-[(2,4-dimethoxyphenyl)methyl]-7-(methylthio)-3H-1,4-benzodiazepin-5-one IUPAC Name: 2-chloro-4-[(2,4-dimethoxyphenyl)methyl]-7-methylsulfanyl-3H-1,4-benzodiazepin-5-one Traditional Name: 2-chloro-4-(2,4-dimethoxybenzyl)-7-(methylthio)-3H-1,4-benzodiazepin-5-one Formula: C19H19ClN2O3S MolecularWeight: 390.88376

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)CN2CC(=NC3=C(C2=O)C=C(C=C3)SC)Cl)OC

Isomeric SMILES

COC1=CC(=C(C=C1)CN2CC(=NC3=C(C2=O)C=C(C=C3)SC)Cl)OC

InChI

InChI=1S/C19H19ClN2O3S/c1-24-13-5-4-12(17(8-13)25-2)10-22-11-18(20)21-16-7-6-14(26-3)9-15(16)19(22)23/h4-9H,10-11H2,1-3H3