7-chloranyl-5-(2-chlorophenyl)-3-[(4-methoxyphenyl)methyl]-2-methylsulfanyl-1,3,4-benzotriazepine

Systemtic Name: 7-chloranyl-5-(2-chlorophenyl)-3-[(4-methoxyphenyl)methyl]-2-methylsulfanyl-1,3,4-benzotriazepine Openeye Name: 7-chloro-5-(2-chlorophenyl)-3-[(4-methoxyphenyl)methyl]-2-methylsulfanyl-1,3,4-benzotriazepine CAS Name: 7-chloro-5-(2-chlorophenyl)-3-[(4-methoxyphenyl)methyl]-2-(methylthio)-1,3,4-benzotriazepine IUPAC Name: 7-chloro-5-(2-chlorophenyl)-3-[(4-methoxyphenyl)methyl]-2-methylsulfanyl-1,3,4-benzotriazepine Traditional Name: 7-chloro-5-(2-chlorophenyl)-2-(methylthio)-3-p-anisyl-1,3,4-benzotriazepine Formula: C23H19Cl2N3OS MolecularWeight: 456.38746

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2C(=NC3=C(C=C(C=C3)Cl)C(=N2)C4=CC=CC=C4Cl)SC

Isomeric SMILES

COC1=CC=C(C=C1)CN2C(=NC3=C(C=C(C=C3)Cl)C(=N2)C4=CC=CC=C4Cl)SC

InChI

InChI=1S/C23H19Cl2N3OS/c1-29-17-10-7-15(8-11-17)14-28-23(30-2)26-21-12-9-16(24)13-19(21)22(27-28)18-5-3-4-6-20(18)25/h3-13H,14H2,1-2H3