(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 4-[(4-chlorophenyl)sulfanylmethyl]benzoate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 4-[(4-chlorophenyl)sulfanylmethyl]benzoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 4-[(4-chlorophenyl)sulfanylmethyl]benzoate CAS Name: 4-[[(4-chlorophenyl)thio]methyl]benzoic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 4-[(4-chlorophenyl)sulfanylmethyl]benzoate Traditional Name: 4-[[(4-chlorophenyl)thio]methyl]benzoic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C22H16ClN3O3S MolecularWeight: 437.89874

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(N=N2)COC(=O)C3=CC=C(C=C3)CSC4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(N=N2)COC(=O)C3=CC=C(C=C3)CSC4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H16ClN3O3S/c23-17-9-11-18(12-10-17)30-13-15-5-7-16(8-6-15)22(28)29-14-26-21(27)19-3-1-2-4-20(19)24-25-26/h1-12H,13-14H2