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

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

CCC1=CC=C(C=C1)C(=O)CSC2=NNC(=O)N2CCCOC

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)CSC2=NNC(=O)N2CCCOC

InChI

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