2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]pyridine-3-carboxylate

Systemtic Name: 2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]pyridine-3-carboxylate Openeye Name: 2-[[3-(p-tolyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]pyridine-3-carboxylate CAS Name: 2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylthio]-3-pyridinecarboxylate IUPAC Name: 2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]pyridine-3-carboxylate Traditional Name: 2-[[3-(p-tolyl)-1,2,4-oxadiazol-5-yl]methylthio]nicotinate Formula: C16H12N3O3S- MolecularWeight: 326.34978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NOC(=N2)CSC3=C(C=CC=N3)C(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NOC(=N2)CSC3=C(C=CC=N3)C(=O)[O-]

InChI

InChI=1S/C16H13N3O3S/c1-10-4-6-11(7-5-10)14-18-13(22-19-14)9-23-15-12(16(20)21)3-2-8-17-15/h2-8H,9H2,1H3,(H,20,21)/p-1