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

Systemtic Name: S-(3-oxidanylidenecyclohexen-1-yl) 4-chloranyl-2-methyl-3-[(4-methyl-5-oxidanylidene-1,2,3,4-tetrazol-1-yl)methyl]benzenecarbothioate Openeye Name: S-(3-oxocyclohexen-1-yl) 4-chloro-2-methyl-3-[(4-methyl-5-oxo-tetrazol-1-yl)methyl]benzenecarbothioate CAS Name: 4-chloro-2-methyl-3-[(4-methyl-5-oxo-1-tetrazolyl)methyl]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)methyl]benzenecarbothioate Traditional Name: 4-chloro-3-[(5-keto-4-methyl-tetrazol-1-yl)methyl]-2-methyl-thiobenzoic acid S-(3-ketocyclohexen-1-yl) ester Formula: C17H17ClN4O3S MolecularWeight: 392.85988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1CN2C(=O)N(N=N2)C)Cl)C(=O)SC3=CC(=O)CCC3

Isomeric SMILES

CC1=C(C=CC(=C1CN2C(=O)N(N=N2)C)Cl)C(=O)SC3=CC(=O)CCC3

InChI

InChI=1S/C17H17ClN4O3S/c1-10-13(16(24)26-12-5-3-4-11(23)8-12)6-7-15(18)14(10)9-22-17(25)21(2)19-20-22/h6-8H,3-5,9H2,1-2H3