S-methyl 2-methoxy-3-methyl-5-[4-(2-methyl-1,2,3,4-tetrazol-5-yl)but-1-ynyl]benzenecarbothioate

Systemtic Name: S-methyl 2-methoxy-3-methyl-5-[4-(2-methyl-1,2,3,4-tetrazol-5-yl)but-1-ynyl]benzenecarbothioate Openeye Name: S-methyl 2-methoxy-3-methyl-5-[4-(2-methyltetrazol-5-yl)but-1-ynyl]benzenecarbothioate CAS Name: 2-methoxy-3-methyl-5-[4-(2-methyl-5-tetrazolyl)but-1-ynyl]benzenecarbothioic acid S-methyl ester IUPAC Name: S-methyl 2-methoxy-3-methyl-5-[4-(2-methyltetrazol-5-yl)but-1-ynyl]benzenecarbothioate Traditional Name: 2-methoxy-3-methyl-5-[4-(2-methyltetrazol-5-yl)but-1-ynyl]thiobenzoic acid S-methyl ester Formula: C16H18N4O2S MolecularWeight: 330.40472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC)C(=O)SC)C#CCCC2=NN(N=N2)C

Isomeric SMILES

CC1=CC(=CC(=C1OC)C(=O)SC)C#CCCC2=NN(N=N2)C

InChI

InChI=1S/C16H18N4O2S/c1-11-9-12(10-13(15(11)22-3)16(21)23-4)7-5-6-8-14-17-19-20(2)18-14/h9-10H,6,8H2,1-4H3