S-(3-oxidanylidenecyclohexen-1-yl) 4-chloranyl-2-methyl-3-(4-methyl-5-oxidanylidene-1,2,3,4-tetrazol-1-yl)benzenecarbothioate

Systemtic Name: S-(3-oxidanylidenecyclohexen-1-yl) 4-chloranyl-2-methyl-3-(4-methyl-5-oxidanylidene-1,2,3,4-tetrazol-1-yl)benzenecarbothioate Openeye Name: S-(3-oxocyclohexen-1-yl) 4-chloro-2-methyl-3-(4-methyl-5-oxo-tetrazol-1-yl)benzenecarbothioate CAS Name: 4-chloro-2-methyl-3-(4-methyl-5-oxo-1-tetrazolyl)benzenecarbothioic acid S-(3-oxo-1-cyclohexenyl) ester IUPAC Name: S-(3-oxocyclohexen-1-yl) 4-chloro-2-methyl-3-(4-methyl-5-oxotetrazol-1-yl)benzenecarbothioate Traditional Name: 4-chloro-3-(5-keto-4-methyl-tetrazol-1-yl)-2-methyl-thiobenzoic acid S-(3-ketocyclohexen-1-yl) ester Formula: C16H15ClN4O3S MolecularWeight: 378.8333

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1N2C(=O)N(N=N2)C)Cl)C(=O)SC3=CC(=O)CCC3

Isomeric SMILES

CC1=C(C=CC(=C1N2C(=O)N(N=N2)C)Cl)C(=O)SC3=CC(=O)CCC3

InChI

InChI=1S/C16H15ClN4O3S/c1-9-12(15(23)25-11-5-3-4-10(22)8-11)6-7-13(17)14(9)21-16(24)20(2)18-19-21/h6-8H,3-5H2,1-2H3