(3-methyl-1-phenyl-5-pyridin-2-ylsulfanyl-pyrazol-4-yl)methanamine

Systemtic Name: (3-methyl-1-phenyl-5-pyridin-2-ylsulfanyl-pyrazol-4-yl)methanamine Openeye Name: [3-methyl-1-phenyl-5-(2-pyridylsulfanyl)pyrazol-4-yl]methanamine CAS Name: [3-methyl-1-phenyl-5-(2-pyridinylthio)-4-pyrazolyl]methanamine IUPAC Name: (3-methyl-1-phenyl-5-pyridin-2-ylsulfanylpyrazol-4-yl)methanamine Traditional Name: [3-methyl-1-phenyl-5-(2-pyridylthio)pyrazol-4-yl]methylamine Formula: C16H16N4S MolecularWeight: 296.39004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1CN)SC2=CC=CC=N2)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1CN)SC2=CC=CC=N2)C3=CC=CC=C3

InChI

InChI=1S/C16H16N4S/c1-12-14(11-17)16(21-15-9-5-6-10-18-15)20(19-12)13-7-3-2-4-8-13/h2-10H,11,17H2,1H3