(3-oxidanylidenecyclohexen-1-yl) 4-methyl-2-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]benzoate

Systemtic Name: (3-oxidanylidenecyclohexen-1-yl) 4-methyl-2-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]benzoate Openeye Name: (3-oxocyclohexen-1-yl) 4-methyl-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzoate CAS Name: 4-methyl-2-[[(1-methyl-5-tetrazolyl)thio]methyl]benzoic acid (3-oxo-1-cyclohexenyl) ester IUPAC Name: (3-oxocyclohexen-1-yl) 4-methyl-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzoate Traditional Name: 4-methyl-2-[[(1-methyltetrazol-5-yl)thio]methyl]benzoic acid (3-ketocyclohexen-1-yl) ester Formula: C17H18N4O3S MolecularWeight: 358.41482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)OC2=CC(=O)CCC2)CSC3=NN=NN3C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)OC2=CC(=O)CCC2)CSC3=NN=NN3C

InChI

InChI=1S/C17H18N4O3S/c1-11-6-7-15(16(23)24-14-5-3-4-13(22)9-14)12(8-11)10-25-17-18-19-20-21(17)2/h6-9H,3-5,10H2,1-2H3