2-[[5-(2-chloranyl-4-methyl-phenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-ethanamide

Systemtic Name: 2-[[5-(2-chloranyl-4-methyl-phenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-ethanamide Openeye Name: 2-[[5-(2-chloro-4-methyl-phenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-acetamide CAS Name: 2-[[5-(2-chloro-4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-methylacetamide IUPAC Name: 2-[[5-(2-chloro-4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-methylacetamide Traditional Name: 2-[[5-(2-chloro-4-methyl-phenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-methyl-acetamide Formula: C18H17ClN4OS MolecularWeight: 372.87178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC)Cl

InChI

InChI=1S/C18H17ClN4OS/c1-12-8-9-14(15(19)10-12)17-21-22-18(25-11-16(24)20-2)23(17)13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H,20,24)