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

Systemtic Name: 2-[[(1,3-diphenylpyrazol-4-yl)methyl-methyl-amino]methyl]-5-(furan-2-yl)-4-methyl-1,2,4-triazole-3-thione Openeye Name: 2-[[(1,3-diphenylpyrazol-4-yl)methyl-methyl-amino]methyl]-5-(2-furyl)-4-methyl-1,2,4-triazole-3-thione CAS Name: 2-[[(1,3-diphenyl-4-pyrazolyl)methyl-methylamino]methyl]-5-(2-furanyl)-4-methyl-1,2,4-triazole-3-thione IUPAC Name: 2-[[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]methyl]-5-(furan-2-yl)-4-methyl-1,2,4-triazole-3-thione Traditional Name: 2-[[(1,3-diphenylpyrazol-4-yl)methyl-methyl-amino]methyl]-5-(2-furyl)-4-methyl-1,2,4-triazole-3-thione Formula: C25H24N6OS MolecularWeight: 456.56266

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)CN(C)CC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CO5

Isomeric SMILES

CN1C(=NN(C1=S)CN(C)CC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CO5

InChI

InChI=1S/C25H24N6OS/c1-28(18-31-25(33)29(2)24(27-31)22-14-9-15-32-22)16-20-17-30(21-12-7-4-8-13-21)26-23(20)19-10-5-3-6-11-19/h3-15,17H,16,18H2,1-2H3