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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=NN1C2=CC=CC=C2)C(=O)NNC(=S)NC3=CC(=CC=C3)Cl

Isomeric SMILES

CC1=C(N=NN1C2=CC=CC=C2)C(=O)NNC(=S)NC3=CC(=CC=C3)Cl

InChI

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