(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 4-(4-chlorophenyl)sulfanylbutanoate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 4-(4-chlorophenyl)sulfanylbutanoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 4-(4-chlorophenyl)sulfanylbutanoate CAS Name: 4-[(4-chlorophenyl)thio]butanoic 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)sulfanylbutanoate Traditional Name: 4-[(4-chlorophenyl)thio]butyric acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C18H16ClN3O3S MolecularWeight: 389.85594

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(N=N2)COC(=O)CCCSC3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(N=N2)COC(=O)CCCSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H16ClN3O3S/c19-13-7-9-14(10-8-13)26-11-3-6-17(23)25-12-22-18(24)15-4-1-2-5-16(15)20-21-22/h1-2,4-5,7-10H,3,6,11-12H2