S-(1-phenyl-1,2,3,4-tetrazol-5-yl) 4-methylbenzenecarbothioate

Systemtic Name: S-(1-phenyl-1,2,3,4-tetrazol-5-yl) 4-methylbenzenecarbothioate Openeye Name: S-(1-phenyltetrazol-5-yl) 4-methylbenzenecarbothioate CAS Name: 4-methylbenzenecarbothioic acid S-(1-phenyl-5-tetrazolyl) ester IUPAC Name: S-(1-phenyltetrazol-5-yl) 4-methylbenzenecarbothioate Traditional Name: 4-methylthiobenzoic acid S-(1-phenyltetrazol-5-yl) ester Formula: C15H12N4OS MolecularWeight: 296.34698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)SC2=NN=NN2C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)SC2=NN=NN2C3=CC=CC=C3

InChI

InChI=1S/C15H12N4OS/c1-11-7-9-12(10-8-11)14(20)21-15-16-17-18-19(15)13-5-3-2-4-6-13/h2-10H,1H3