3-[2-oxidanylidene-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethyl]sulfanyl-4-phenethyl-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[2-oxidanylidene-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethyl]sulfanyl-4-phenethyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]sulfanyl-4-phenethyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[2-oxo-2-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]ethyl]thio]-4-phenethyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]sulfanyl-4-phenethyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[[2-keto-2-[4-(2-thenoyl)piperazino]ethyl]thio]-4-phenethyl-1H-1,2,4-triazol-5-one Formula: C21H23N5O3S2 MolecularWeight: 457.56902

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CSC2=NNC(=O)N2CCC3=CC=CC=C3)C(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CCN1C(=O)CSC2=NNC(=O)N2CCC3=CC=CC=C3)C(=O)C4=CC=CS4

InChI

InChI=1S/C21H23N5O3S2/c27-18(24-10-12-25(13-11-24)19(28)17-7-4-14-30-17)15-31-21-23-22-20(29)26(21)9-8-16-5-2-1-3-6-16/h1-7,14H,8-13,15H2,(H,22,29)