4-methyl-2-[[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]methyl]-5-phenyl-1,2,4-triazole-3-thione

Systemtic Name: 4-methyl-2-[[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]methyl]-5-phenyl-1,2,4-triazole-3-thione Openeye Name: 4-methyl-2-[[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]methyl]-5-phenyl-1,2,4-triazole-3-thione CAS Name: 4-methyl-2-[[methyl-[(1-phenyl-4-pyrazolyl)methyl]amino]methyl]-5-phenyl-1,2,4-triazole-3-thione IUPAC Name: 4-methyl-2-[[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]methyl]-5-phenyl-1,2,4-triazole-3-thione Traditional Name: 4-methyl-2-[[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]methyl]-5-phenyl-1,2,4-triazole-3-thione Formula: C21H22N6S MolecularWeight: 390.50458

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)CN(C)CC2=CN(N=C2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CN1C(=NN(C1=S)CN(C)CC2=CN(N=C2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H22N6S/c1-24(14-17-13-22-26(15-17)19-11-7-4-8-12-19)16-27-21(28)25(2)20(23-27)18-9-5-3-6-10-18/h3-13,15H,14,16H2,1-2H3