3-[(4-methoxyphenyl)methyl]-2-methylsulfanyl-5-phenyl-1,3,4-benzotriazepine

Systemtic Name: 3-[(4-methoxyphenyl)methyl]-2-methylsulfanyl-5-phenyl-1,3,4-benzotriazepine Openeye Name: 3-[(4-methoxyphenyl)methyl]-2-methylsulfanyl-5-phenyl-1,3,4-benzotriazepine CAS Name: 3-[(4-methoxyphenyl)methyl]-2-(methylthio)-5-phenyl-1,3,4-benzotriazepine IUPAC Name: 3-[(4-methoxyphenyl)methyl]-2-methylsulfanyl-5-phenyl-1,3,4-benzotriazepine Traditional Name: 2-(methylthio)-3-p-anisyl-5-phenyl-1,3,4-benzotriazepine Formula: C23H21N3OS MolecularWeight: 387.49734

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2C(=NC3=CC=CC=C3C(=N2)C4=CC=CC=C4)SC

Isomeric SMILES

COC1=CC=C(C=C1)CN2C(=NC3=CC=CC=C3C(=N2)C4=CC=CC=C4)SC

InChI

InChI=1S/C23H21N3OS/c1-27-19-14-12-17(13-15-19)16-26-23(28-2)24-21-11-7-6-10-20(21)22(25-26)18-8-4-3-5-9-18/h3-15H,16H2,1-2H3