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

Systemtic Name: 1-(4-chlorophenyl)-3-[(5-methyl-2-phenyl-1,2,3-triazol-4-yl)carbonylamino]thiourea Openeye Name: 1-(4-chlorophenyl)-3-[(5-methyl-2-phenyl-triazole-4-carbonyl)amino]thiourea CAS Name: 1-(4-chlorophenyl)-3-[[(5-methyl-2-phenyl-4-triazolyl)-oxomethyl]amino]thiourea IUPAC Name: 1-(4-chlorophenyl)-3-[(5-methyl-2-phenyltriazole-4-carbonyl)amino]thiourea Traditional Name: 1-(4-chlorophenyl)-3-[(5-methyl-2-phenyl-triazole-4-carbonyl)amino]thiourea Formula: C17H15ClN6OS MolecularWeight: 386.8586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(N=C1C(=O)NNC(=S)NC2=CC=C(C=C2)Cl)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(N=C1C(=O)NNC(=S)NC2=CC=C(C=C2)Cl)C3=CC=CC=C3

InChI

InChI=1S/C17H15ClN6OS/c1-11-15(23-24(22-11)14-5-3-2-4-6-14)16(25)20-21-17(26)19-13-9-7-12(18)8-10-13/h2-10H,1H3,(H,20,25)(H2,19,21,26)