S-(5-methyl-4-phenyl-1,2,4-triazol-3-yl) benzenecarbothioate

Systemtic Name: S-(5-methyl-4-phenyl-1,2,4-triazol-3-yl) benzenecarbothioate Openeye Name: S-(5-methyl-4-phenyl-1,2,4-triazol-3-yl) benzenecarbothioate CAS Name: benzenecarbothioic acid S-(5-methyl-4-phenyl-1,2,4-triazol-3-yl) ester IUPAC Name: S-(5-methyl-4-phenyl-1,2,4-triazol-3-yl) benzenecarbothioate Traditional Name: thiobenzoic acid S-(5-methyl-4-phenyl-1,2,4-triazol-3-yl) ester Formula: C16H13N3OS MolecularWeight: 295.35892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=CC=CC=C2)SC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=NN=C(N1C2=CC=CC=C2)SC(=O)C3=CC=CC=C3

InChI

InChI=1S/C16H13N3OS/c1-12-17-18-16(19(12)14-10-6-3-7-11-14)21-15(20)13-8-4-2-5-9-13/h2-11H,1H3