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

Systemtic Name: 2-[[methyl(thiophen-3-ylmethyl)amino]methyl]-4-(phenylmethyl)-5-pyridin-4-yl-1,2,4-triazole-3-thione Openeye Name: 4-benzyl-2-[[methyl(3-thienylmethyl)amino]methyl]-5-(4-pyridyl)-1,2,4-triazole-3-thione CAS Name: 2-[[methyl(3-thiophenylmethyl)amino]methyl]-4-(phenylmethyl)-5-pyridin-4-yl-1,2,4-triazole-3-thione IUPAC Name: 4-benzyl-2-[[methyl(thiophen-3-ylmethyl)amino]methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione Traditional Name: 4-benzyl-2-[[methyl(3-thenyl)amino]methyl]-5-(4-pyridyl)-1,2,4-triazole-3-thione Formula: C21H21N5S2 MolecularWeight: 407.55494

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CSC=C1)CN2C(=S)N(C(=N2)C3=CC=NC=C3)CC4=CC=CC=C4

Isomeric SMILES

CN(CC1=CSC=C1)CN2C(=S)N(C(=N2)C3=CC=NC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C21H21N5S2/c1-24(13-18-9-12-28-15-18)16-26-21(27)25(14-17-5-3-2-4-6-17)20(23-26)19-7-10-22-11-8-19/h2-12,15H,13-14,16H2,1H3