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

Systemtic Name: 4-cyclopropyl-2-[[(1,3-diphenylpyrazol-4-yl)methyl-methyl-amino]methyl]-5-pyridin-3-yl-1,2,4-triazole-3-thione Openeye Name: 4-cyclopropyl-2-[[(1,3-diphenylpyrazol-4-yl)methyl-methyl-amino]methyl]-5-(3-pyridyl)-1,2,4-triazole-3-thione CAS Name: 4-cyclopropyl-2-[[(1,3-diphenyl-4-pyrazolyl)methyl-methylamino]methyl]-5-(3-pyridinyl)-1,2,4-triazole-3-thione IUPAC Name: 4-cyclopropyl-2-[[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]methyl]-5-pyridin-3-yl-1,2,4-triazole-3-thione Traditional Name: 4-cyclopropyl-2-[[(1,3-diphenylpyrazol-4-yl)methyl-methyl-amino]methyl]-5-(3-pyridyl)-1,2,4-triazole-3-thione Formula: C28H27N7S MolecularWeight: 493.62588

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN(N=C1C2=CC=CC=C2)C3=CC=CC=C3)CN4C(=S)N(C(=N4)C5=CN=CC=C5)C6CC6

Isomeric SMILES

CN(CC1=CN(N=C1C2=CC=CC=C2)C3=CC=CC=C3)CN4C(=S)N(C(=N4)C5=CN=CC=C5)C6CC6

InChI

InChI=1S/C28H27N7S/c1-32(20-34-28(36)35(25-14-15-25)27(31-34)22-11-8-16-29-17-22)18-23-19-33(24-12-6-3-7-13-24)30-26(23)21-9-4-2-5-10-21/h2-13,16-17,19,25H,14-15,18,20H2,1H3