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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=O)NN=C1SCC(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

COCCCN1C(=O)NN=C1SCC(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C14H16ClN3O3S/c1-21-8-2-7-18-13(20)16-17-14(18)22-9-12(19)10-3-5-11(15)6-4-10/h3-6H,2,7-9H2,1H3,(H,16,20)