3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxo-ethyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[2-[4-(4-methoxyphenyl)-1-piperazinyl]-2-oxoethyl]thio]-4-propyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[[2-keto-2-[4-(4-methoxyphenyl)piperazino]ethyl]thio]-4-propyl-1H-1,2,4-triazol-5-one Formula: C18H25N5O3S MolecularWeight: 391.4878

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SCC(=O)N2CCN(CC2)C3=CC=C(C=C3)OC

Isomeric SMILES

CCCN1C(=O)NN=C1SCC(=O)N2CCN(CC2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C18H25N5O3S/c1-3-8-23-17(25)19-20-18(23)27-13-16(24)22-11-9-21(10-12-22)14-4-6-15(26-2)7-5-14/h4-7H,3,8-13H2,1-2H3,(H,19,25)