4-ethyl-5-(phenylmethyl)-2-[[4-(thiophen-3-ylmethyl)piperazin-1-yl]methyl]-1,2,4-triazole-3-thione

Systemtic Name: 4-ethyl-5-(phenylmethyl)-2-[[4-(thiophen-3-ylmethyl)piperazin-1-yl]methyl]-1,2,4-triazole-3-thione Openeye Name: 5-benzyl-4-ethyl-2-[[4-(3-thienylmethyl)piperazin-1-yl]methyl]-1,2,4-triazole-3-thione CAS Name: 4-ethyl-5-(phenylmethyl)-2-[[4-(3-thiophenylmethyl)-1-piperazinyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 5-benzyl-4-ethyl-2-[[4-(thiophen-3-ylmethyl)piperazin-1-yl]methyl]-1,2,4-triazole-3-thione Traditional Name: 5-benzyl-4-ethyl-2-[[4-(3-thenyl)piperazino]methyl]-1,2,4-triazole-3-thione Formula: C21H27N5S2 MolecularWeight: 413.60258

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN(C1=S)CN2CCN(CC2)CC3=CSC=C3)CC4=CC=CC=C4

Isomeric SMILES

CCN1C(=NN(C1=S)CN2CCN(CC2)CC3=CSC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C21H27N5S2/c1-2-25-20(14-18-6-4-3-5-7-18)22-26(21(25)27)17-24-11-9-23(10-12-24)15-19-8-13-28-16-19/h3-8,13,16H,2,9-12,14-15,17H2,1H3