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

Systemtic Name: 1-ethyl-3-[(5-phenyl-1-pyridin-3-yl-1,2,4-triazol-3-yl)carbonylamino]thiourea Openeye Name: 1-ethyl-3-[[5-phenyl-1-(3-pyridyl)-1,2,4-triazole-3-carbonyl]amino]thiourea CAS Name: 1-ethyl-3-[[oxo-[5-phenyl-1-(3-pyridinyl)-1,2,4-triazol-3-yl]methyl]amino]thiourea IUPAC Name: 1-ethyl-3-[(5-phenyl-1-pyridin-3-yl-1,2,4-triazole-3-carbonyl)amino]thiourea Traditional Name: 1-ethyl-3-[[5-phenyl-1-(3-pyridyl)-1,2,4-triazole-3-carbonyl]amino]thiourea Formula: C17H17N7OS MolecularWeight: 367.42818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N7OS/c1-2-19-17(26)22-21-16(25)14-20-15(12-7-4-3-5-8-12)24(23-14)13-9-6-10-18-11-13/h3-11H,2H2,1H3,(H,21,25)(H2,19,22,26)