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

Systemtic Name: 3-[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[2-[4-(m-tolylmethyl)piperazin-1-yl]-2-oxo-ethyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[2-[4-[(3-methylphenyl)methyl]-1-piperazinyl]-2-oxoethyl]thio]-4-propyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[[2-keto-2-[4-(3-methylbenzyl)piperazino]ethyl]thio]-4-propyl-1H-1,2,4-triazol-5-one Formula: C19H27N5O2S MolecularWeight: 389.51498

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SCC(=O)N2CCN(CC2)CC3=CC=CC(=C3)C

Isomeric SMILES

CCCN1C(=O)NN=C1SCC(=O)N2CCN(CC2)CC3=CC=CC(=C3)C

InChI

InChI=1S/C19H27N5O2S/c1-3-7-24-18(26)20-21-19(24)27-14-17(25)23-10-8-22(9-11-23)13-16-6-4-5-15(2)12-16/h4-6,12H,3,7-11,13-14H2,1-2H3,(H,20,26)