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

Systemtic Name: 2-[[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]methyl]-4-propyl-5-pyridin-4-yl-1,2,4-triazole-3-thione Openeye Name: 2-[[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]methyl]-4-propyl-5-(4-pyridyl)-1,2,4-triazole-3-thione CAS Name: 2-[[methyl-[(1-phenyl-4-pyrazolyl)methyl]amino]methyl]-4-propyl-5-pyridin-4-yl-1,2,4-triazole-3-thione IUPAC Name: 2-[[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]methyl]-4-propyl-5-pyridin-4-yl-1,2,4-triazole-3-thione Traditional Name: 2-[[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]methyl]-4-propyl-5-(4-pyridyl)-1,2,4-triazole-3-thione Formula: C22H25N7S MolecularWeight: 419.5458

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN(C1=S)CN(C)CC2=CN(N=C2)C3=CC=CC=C3)C4=CC=NC=C4

Isomeric SMILES

CCCN1C(=NN(C1=S)CN(C)CC2=CN(N=C2)C3=CC=CC=C3)C4=CC=NC=C4

InChI

InChI=1S/C22H25N7S/c1-3-13-27-21(19-9-11-23-12-10-19)25-29(22(27)30)17-26(2)15-18-14-24-28(16-18)20-7-5-4-6-8-20/h4-12,14,16H,3,13,15,17H2,1-2H3