1-[[3-(4-methylphenyl)-1-phenyl-pyrazol-4-yl]methyl]-3-pyridin-3-yl-thiourea

Systemtic Name: 1-[[3-(4-methylphenyl)-1-phenyl-pyrazol-4-yl]methyl]-3-pyridin-3-yl-thiourea Openeye Name: 1-[[1-phenyl-3-(p-tolyl)pyrazol-4-yl]methyl]-3-(3-pyridyl)thiourea CAS Name: 1-[[3-(4-methylphenyl)-1-phenyl-4-pyrazolyl]methyl]-3-(3-pyridinyl)thiourea IUPAC Name: 1-[[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methyl]-3-pyridin-3-ylthiourea Traditional Name: 1-[[1-phenyl-3-(p-tolyl)pyrazol-4-yl]methyl]-3-(3-pyridyl)thiourea Formula: C23H21N5S MolecularWeight: 399.51134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C=C2CNC(=S)NC3=CN=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C=C2CNC(=S)NC3=CN=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H21N5S/c1-17-9-11-18(12-10-17)22-19(16-28(27-22)21-7-3-2-4-8-21)14-25-23(29)26-20-6-5-13-24-15-20/h2-13,15-16H,14H2,1H3,(H2,25,26,29)