S-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl) 4-methylbenzenecarbothioate

Systemtic Name: S-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl) 4-methylbenzenecarbothioate Openeye Name: S-[5-(2-thienyl)-1H-1,2,4-triazol-3-yl] 4-methylbenzenecarbothioate CAS Name: 4-methylbenzenecarbothioic acid S-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl) ester IUPAC Name: S-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl) 4-methylbenzenecarbothioate Traditional Name: 4-methylthiobenzoic acid S-[5-(2-thienyl)-1H-1,2,4-triazol-3-yl] ester Formula: C14H11N3OS2 MolecularWeight: 301.38664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)SC2=NNC(=N2)C3=CC=CS3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)SC2=NNC(=N2)C3=CC=CS3

InChI

InChI=1S/C14H11N3OS2/c1-9-4-6-10(7-5-9)13(18)20-14-15-12(16-17-14)11-3-2-8-19-11/h2-8H,1H3,(H,15,16,17)