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

Systemtic Name: 1-[2-(4-chlorophenyl)-5-propanoyl-1,2,3-triazol-4-yl]-3-phenyl-thiourea Openeye Name: 1-[2-(4-chlorophenyl)-5-propanoyl-triazol-4-yl]-3-phenyl-thiourea CAS Name: 1-[2-(4-chlorophenyl)-5-(1-oxopropyl)-4-triazolyl]-3-phenylthiourea IUPAC Name: 1-[2-(4-chlorophenyl)-5-propanoyltriazol-4-yl]-3-phenylthiourea Traditional Name: 1-[2-(4-chlorophenyl)-5-propionyl-triazol-4-yl]-3-phenyl-thiourea Formula: C18H16ClN5OS MolecularWeight: 385.87054

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C18H16ClN5OS/c1-2-15(25)16-17(21-18(26)20-13-6-4-3-5-7-13)23-24(22-16)14-10-8-12(19)9-11-14/h3-11H,2H2,1H3,(H2,20,21,23,26)