phenyl 6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carboxylate

Systemtic Name: phenyl 6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carboxylate Openeye Name: phenyl 6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carboxylate CAS Name: 6-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]-3-pyridinecarboxylic acid phenyl ester IUPAC Name: phenyl 6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carboxylate Traditional Name: 6-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]nicotinic acid phenyl ester Formula: C15H12N4O2S MolecularWeight: 312.34638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1)SC2=NC=C(C=C2)C(=O)OC3=CC=CC=C3

Isomeric SMILES

CC1=NC(=NN1)SC2=NC=C(C=C2)C(=O)OC3=CC=CC=C3

InChI

InChI=1S/C15H12N4O2S/c1-10-17-15(19-18-10)22-13-8-7-11(9-16-13)14(20)21-12-5-3-2-4-6-12/h2-9H,1H3,(H,17,18,19)