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

Systemtic Name: 1-methyl-3-[(5-phenyl-1-pyridin-3-yl-1,2,4-triazol-3-yl)carbonylamino]thiourea Openeye Name: 1-methyl-3-[[5-phenyl-1-(3-pyridyl)-1,2,4-triazole-3-carbonyl]amino]thiourea CAS Name: 1-methyl-3-[[oxo-[5-phenyl-1-(3-pyridinyl)-1,2,4-triazol-3-yl]methyl]amino]thiourea IUPAC Name: 1-methyl-3-[(5-phenyl-1-pyridin-3-yl-1,2,4-triazole-3-carbonyl)amino]thiourea Traditional Name: 1-methyl-3-[[5-phenyl-1-(3-pyridyl)-1,2,4-triazole-3-carbonyl]amino]thiourea Formula: C16H15N7OS MolecularWeight: 353.4016

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)NNC(=O)C1=NN(C(=N1)C2=CC=CC=C2)C3=CN=CC=C3

Isomeric SMILES

CNC(=S)NNC(=O)C1=NN(C(=N1)C2=CC=CC=C2)C3=CN=CC=C3

InChI

InChI=1S/C16H15N7OS/c1-17-16(25)21-20-15(24)13-19-14(11-6-3-2-4-7-11)23(22-13)12-8-5-9-18-10-12/h2-10H,1H3,(H,20,24)(H2,17,21,25)