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

Systemtic Name: 5-(4-ethylphenyl)-2-[[4-(thiophen-3-ylmethyl)piperazin-1-yl]methyl]-1H-1,2,4-triazole-3-thione Openeye Name: 5-(4-ethylphenyl)-2-[[4-(3-thienylmethyl)piperazin-1-yl]methyl]-1H-1,2,4-triazole-3-thione CAS Name: 5-(4-ethylphenyl)-2-[[4-(3-thiophenylmethyl)-1-piperazinyl]methyl]-1H-1,2,4-triazole-3-thione IUPAC Name: 5-(4-ethylphenyl)-2-[[4-(thiophen-3-ylmethyl)piperazin-1-yl]methyl]-1H-1,2,4-triazole-3-thione Traditional Name: 5-(4-ethylphenyl)-2-[[4-(3-thenyl)piperazino]methyl]-1H-1,2,4-triazole-3-thione Formula: C20H25N5S2 MolecularWeight: 399.576

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC(=S)N(N2)CN3CCN(CC3)CC4=CSC=C4

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC(=S)N(N2)CN3CCN(CC3)CC4=CSC=C4

InChI

InChI=1S/C20H25N5S2/c1-2-16-3-5-18(6-4-16)19-21-20(26)25(22-19)15-24-10-8-23(9-11-24)13-17-7-12-27-14-17/h3-7,12,14H,2,8-11,13,15H2,1H3,(H,21,22,26)