4-butyl-3-[(2R)-1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl]sulfanyl-1H-1,2,4-triazol-5-one

Systemtic Name: 4-butyl-3-[(2R)-1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl]sulfanyl-1H-1,2,4-triazol-5-one Openeye Name: 4-butyl-3-[(1R)-1-methyl-2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1H-1,2,4-triazol-5-one CAS Name: 4-butyl-3-[[(2R)-1-oxo-1-(4-phenyl-1-piperazinyl)propan-2-yl]thio]-1H-1,2,4-triazol-5-one IUPAC Name: 4-butyl-3-[(2R)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]sulfanyl-1H-1,2,4-triazol-5-one Traditional Name: 4-butyl-3-[[(1R)-2-keto-1-methyl-2-(4-phenylpiperazino)ethyl]thio]-1H-1,2,4-triazol-5-one Formula: C19H27N5O2S MolecularWeight: 389.51498

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SC(C)C(=O)N2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CCCCN1C(=O)NN=C1S[C@H](C)C(=O)N2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C19H27N5O2S/c1-3-4-10-24-18(26)20-21-19(24)27-15(2)17(25)23-13-11-22(12-14-23)16-8-6-5-7-9-16/h5-9,15H,3-4,10-14H2,1-2H3,(H,20,26)/t15-/m1/s1