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

Systemtic Name: 4-cyclopropyl-3-[2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-1H-1,2,4-triazol-5-one Openeye Name: 4-cyclopropyl-3-[2-(3,4-dimethoxyphenyl)-2-oxo-ethyl]sulfanyl-1H-1,2,4-triazol-5-one CAS Name: 4-cyclopropyl-3-[[2-(3,4-dimethoxyphenyl)-2-oxoethyl]thio]-1H-1,2,4-triazol-5-one IUPAC Name: 4-cyclopropyl-3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl-1H-1,2,4-triazol-5-one Traditional Name: 4-cyclopropyl-3-[[2-(3,4-dimethoxyphenyl)-2-keto-ethyl]thio]-1H-1,2,4-triazol-5-one Formula: C15H17N3O4S MolecularWeight: 335.37818

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)CSC2=NNC(=O)N2C3CC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)CSC2=NNC(=O)N2C3CC3)OC

InChI

InChI=1S/C15H17N3O4S/c1-21-12-6-3-9(7-13(12)22-2)11(19)8-23-15-17-16-14(20)18(15)10-4-5-10/h3,6-7,10H,4-5,8H2,1-2H3,(H,16,20)