(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxylate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxylate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxylate CAS Name: 3-methyl-1-phenyl-5-thieno[2,3-c]pyrazolecarboxylic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 3-methyl-1-phenylthieno[2,3-c]pyrazole-5-carboxylate Traditional Name: 3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxylic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C21H15N5O3S MolecularWeight: 417.4405

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C=C(S2)C(=O)OCN3C(=O)C4=CC=CC=C4N=N3)C5=CC=CC=C5

Isomeric SMILES

CC1=NN(C2=C1C=C(S2)C(=O)OCN3C(=O)C4=CC=CC=C4N=N3)C5=CC=CC=C5

InChI

InChI=1S/C21H15N5O3S/c1-13-16-11-18(30-20(16)26(23-13)14-7-3-2-4-8-14)21(28)29-12-25-19(27)15-9-5-6-10-17(15)22-24-25/h2-11H,12H2,1H3