1-(4-methylphenyl)-3-[(5-phenyl-1-pyridin-3-yl-1,2,4-triazol-3-yl)carbonylamino]thiourea

Systemtic Name: 1-(4-methylphenyl)-3-[(5-phenyl-1-pyridin-3-yl-1,2,4-triazol-3-yl)carbonylamino]thiourea Openeye Name: 1-[[5-phenyl-1-(3-pyridyl)-1,2,4-triazole-3-carbonyl]amino]-3-(p-tolyl)thiourea CAS Name: 1-(4-methylphenyl)-3-[[oxo-[5-phenyl-1-(3-pyridinyl)-1,2,4-triazol-3-yl]methyl]amino]thiourea IUPAC Name: 1-(4-methylphenyl)-3-[(5-phenyl-1-pyridin-3-yl-1,2,4-triazole-3-carbonyl)amino]thiourea Traditional Name: 1-[[5-phenyl-1-(3-pyridyl)-1,2,4-triazole-3-carbonyl]amino]-3-(p-tolyl)thiourea Formula: C22H19N7OS MolecularWeight: 429.49756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=S)NNC(=O)C2=NN(C(=N2)C3=CC=CC=C3)C4=CN=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)NC(=S)NNC(=O)C2=NN(C(=N2)C3=CC=CC=C3)C4=CN=CC=C4

InChI

InChI=1S/C22H19N7OS/c1-15-9-11-17(12-10-15)24-22(31)27-26-21(30)19-25-20(16-6-3-2-4-7-16)29(28-19)18-8-5-13-23-14-18/h2-14H,1H3,(H,26,30)(H2,24,27,31)