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

Systemtic Name: 4-(3-methoxypropyl)-3-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1H-1,2,4-triazol-5-one Openeye Name: 4-(3-methoxypropyl)-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1H-1,2,4-triazol-5-one CAS Name: 4-(3-methoxypropyl)-3-[[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]thio]-1H-1,2,4-triazol-5-one IUPAC Name: 4-(3-methoxypropyl)-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[[2-keto-2-(4-phenylpiperazino)ethyl]thio]-4-(3-methoxypropyl)-1H-1,2,4-triazol-5-one Formula: C18H25N5O3S MolecularWeight: 391.4878

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=O)NN=C1SCC(=O)N2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

COCCCN1C(=O)NN=C1SCC(=O)N2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C18H25N5O3S/c1-26-13-5-8-23-17(25)19-20-18(23)27-14-16(24)22-11-9-21(10-12-22)15-6-3-2-4-7-15/h2-4,6-7H,5,8-14H2,1H3,(H,19,25)