2-[[4-(2-phenoxyethyl)piperazin-1-yl]methyl]-5-phenyl-1H-1,2,4-triazole-3-thione

Systemtic Name: 2-[[4-(2-phenoxyethyl)piperazin-1-yl]methyl]-5-phenyl-1H-1,2,4-triazole-3-thione Openeye Name: 2-[[4-(2-phenoxyethyl)piperazin-1-yl]methyl]-5-phenyl-1H-1,2,4-triazole-3-thione CAS Name: 2-[[4-(2-phenoxyethyl)-1-piperazinyl]methyl]-5-phenyl-1H-1,2,4-triazole-3-thione IUPAC Name: 2-[[4-(2-phenoxyethyl)piperazin-1-yl]methyl]-5-phenyl-1H-1,2,4-triazole-3-thione Traditional Name: 2-[[4-(2-phenoxyethyl)piperazino]methyl]-5-phenyl-1H-1,2,4-triazole-3-thione Formula: C21H25N5OS MolecularWeight: 395.5211

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCOC2=CC=CC=C2)CN3C(=S)N=C(N3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CCOC2=CC=CC=C2)CN3C(=S)N=C(N3)C4=CC=CC=C4

InChI

InChI=1S/C21H25N5OS/c28-21-22-20(18-7-3-1-4-8-18)23-26(21)17-25-13-11-24(12-14-25)15-16-27-19-9-5-2-6-10-19/h1-10H,11-17H2,(H,22,23,28)