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

Systemtic Name: 1-cyclohexyl-3-[(5-phenyl-1-pyridin-3-yl-1,2,4-triazol-3-yl)carbonylamino]thiourea Openeye Name: 1-cyclohexyl-3-[[5-phenyl-1-(3-pyridyl)-1,2,4-triazole-3-carbonyl]amino]thiourea CAS Name: 1-cyclohexyl-3-[[oxo-[5-phenyl-1-(3-pyridinyl)-1,2,4-triazol-3-yl]methyl]amino]thiourea IUPAC Name: 1-cyclohexyl-3-[(5-phenyl-1-pyridin-3-yl-1,2,4-triazole-3-carbonyl)amino]thiourea Traditional Name: 1-cyclohexyl-3-[[5-phenyl-1-(3-pyridyl)-1,2,4-triazole-3-carbonyl]amino]thiourea Formula: C21H23N7OS MolecularWeight: 421.51862

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=S)NNC(=O)C2=NN(C(=N2)C3=CC=CC=C3)C4=CN=CC=C4

Isomeric SMILES

C1CCC(CC1)NC(=S)NNC(=O)C2=NN(C(=N2)C3=CC=CC=C3)C4=CN=CC=C4

InChI

InChI=1S/C21H23N7OS/c29-20(25-26-21(30)23-16-10-5-2-6-11-16)18-24-19(15-8-3-1-4-9-15)28(27-18)17-12-7-13-22-14-17/h1,3-4,7-9,12-14,16H,2,5-6,10-11H2,(H,25,29)(H2,23,26,30)