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

Systemtic Name: 1-[2-(4-methylphenyl)-5-propanoyl-1,2,3-triazol-4-yl]-3-phenyl-thiourea Openeye Name: 1-phenyl-3-[5-propanoyl-2-(p-tolyl)triazol-4-yl]thiourea CAS Name: 1-[2-(4-methylphenyl)-5-(1-oxopropyl)-4-triazolyl]-3-phenylthiourea IUPAC Name: 1-[2-(4-methylphenyl)-5-propanoyltriazol-4-yl]-3-phenylthiourea Traditional Name: 1-phenyl-3-[5-propionyl-2-(p-tolyl)triazol-4-yl]thiourea Formula: C19H19N5OS MolecularWeight: 365.45206

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=NN(N=C1NC(=S)NC2=CC=CC=C2)C3=CC=C(C=C3)C

Isomeric SMILES

CCC(=O)C1=NN(N=C1NC(=S)NC2=CC=CC=C2)C3=CC=C(C=C3)C

InChI

InChI=1S/C19H19N5OS/c1-3-16(25)17-18(21-19(26)20-14-7-5-4-6-8-14)23-24(22-17)15-11-9-13(2)10-12-15/h4-12H,3H2,1-2H3,(H2,20,21,23,26)