3-[2-(3-chloranyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[2-(3-chloranyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[2-(3-chloro-4-methoxy-phenyl)-2-oxo-ethyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]thio]-4-propyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[[2-(3-chloro-4-methoxy-phenyl)-2-keto-ethyl]thio]-4-propyl-1H-1,2,4-triazol-5-one Formula: C14H16ClN3O3S MolecularWeight: 341.81314

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SCC(=O)C2=CC(=C(C=C2)OC)Cl

Isomeric SMILES

CCCN1C(=O)NN=C1SCC(=O)C2=CC(=C(C=C2)OC)Cl

InChI

InChI=1S/C14H16ClN3O3S/c1-3-6-18-13(20)16-17-14(18)22-8-11(19)9-4-5-12(21-2)10(15)7-9/h4-5,7H,3,6,8H2,1-2H3,(H,16,20)