(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxylate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxylate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 1-phenyl-5-(2-thienyl)-1,2,4-triazole-3-carboxylate CAS Name: 1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxylic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxylate Traditional Name: 1-phenyl-5-(2-thienyl)-1,2,4-triazole-3-carboxylic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C21H14N6O3S MolecularWeight: 430.43926

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NC(=N2)C(=O)OCN3C(=O)C4=CC=CC=C4N=N3)C5=CC=CS5

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NC(=N2)C(=O)OCN3C(=O)C4=CC=CC=C4N=N3)C5=CC=CS5

InChI

InChI=1S/C21H14N6O3S/c28-20-15-9-4-5-10-16(15)23-25-26(20)13-30-21(29)18-22-19(17-11-6-12-31-17)27(24-18)14-7-2-1-3-8-14/h1-12H,13H2