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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)CN2CCN(CC2)CC3=CSC=C3)CC4=CC=CC=C4

Isomeric SMILES

CN1C(=NN(C1=S)CN2CCN(CC2)CC3=CSC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C20H25N5S2/c1-22-19(13-17-5-3-2-4-6-17)21-25(20(22)26)16-24-10-8-23(9-11-24)14-18-7-12-27-15-18/h2-7,12,15H,8-11,13-14,16H2,1H3