1,3-benzothiazol-2-ylmethyl 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylate Openeye Name: 1,3-benzothiazol-2-ylmethyl 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylate CAS Name: 2-(1,2,4-triazol-1-yl)-3-pyridinecarboxylic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylate Traditional Name: 2-(1,2,4-triazol-1-yl)nicotinic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C16H11N5O2S MolecularWeight: 337.35584

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)COC(=O)C3=C(N=CC=C3)N4C=NC=N4

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)COC(=O)C3=C(N=CC=C3)N4C=NC=N4

InChI

InChI=1S/C16H11N5O2S/c22-16(11-4-3-7-18-15(11)21-10-17-9-19-21)23-8-14-20-12-5-1-2-6-13(12)24-14/h1-7,9-10H,8H2