3-[2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl]sulfanyl-4-(3-methoxypropyl)-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl]sulfanyl-4-(3-methoxypropyl)-1H-1,2,4-triazol-5-one Openeye Name: 3-[2-(2,5-dimethylphenyl)-2-oxo-ethyl]sulfanyl-4-(3-methoxypropyl)-1H-1,2,4-triazol-5-one CAS Name: 3-[[2-(2,5-dimethylphenyl)-2-oxoethyl]thio]-4-(3-methoxypropyl)-1H-1,2,4-triazol-5-one IUPAC Name: 3-[2-(2,5-dimethylphenyl)-2-oxoethyl]sulfanyl-4-(3-methoxypropyl)-1H-1,2,4-triazol-5-one Traditional Name: 3-[[2-(2,5-dimethylphenyl)-2-keto-ethyl]thio]-4-(3-methoxypropyl)-1H-1,2,4-triazol-5-one Formula: C16H21N3O3S MolecularWeight: 335.42124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)CSC2=NNC(=O)N2CCCOC

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)CSC2=NNC(=O)N2CCCOC

InChI

InChI=1S/C16H21N3O3S/c1-11-5-6-12(2)13(9-11)14(20)10-23-16-18-17-15(21)19(16)7-4-8-22-3/h5-6,9H,4,7-8,10H2,1-3H3,(H,17,21)