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

Systemtic Name: 3-[(4-methoxyphenyl)methyl]-2-methylsulfanyl-7-nitro-5-phenyl-1,3,4-benzotriazepine Openeye Name: 3-[(4-methoxyphenyl)methyl]-2-methylsulfanyl-7-nitro-5-phenyl-1,3,4-benzotriazepine CAS Name: 3-[(4-methoxyphenyl)methyl]-2-(methylthio)-7-nitro-5-phenyl-1,3,4-benzotriazepine IUPAC Name: 3-[(4-methoxyphenyl)methyl]-2-methylsulfanyl-7-nitro-5-phenyl-1,3,4-benzotriazepine Traditional Name: 2-(methylthio)-7-nitro-3-p-anisyl-5-phenyl-1,3,4-benzotriazepine Formula: C23H20N4O3S MolecularWeight: 432.4949

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2C(=NC3=C(C=C(C=C3)[N+](=O)[O-])C(=N2)C4=CC=CC=C4)SC

Isomeric SMILES

COC1=CC=C(C=C1)CN2C(=NC3=C(C=C(C=C3)[N+](=O)[O-])C(=N2)C4=CC=CC=C4)SC

InChI

InChI=1S/C23H20N4O3S/c1-30-19-11-8-16(9-12-19)15-26-23(31-2)24-21-13-10-18(27(28)29)14-20(21)22(25-26)17-6-4-3-5-7-17/h3-14H,15H2,1-2H3