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

Systemtic Name: 2-[[4-(3-chloranyl-4-methyl-phenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopropyl-2-phenyl-ethanamide Openeye Name: 2-[[4-(3-chloro-4-methyl-phenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopropyl-2-phenyl-acetamide CAS Name: 2-[[4-(3-chloro-4-methylphenyl)-1,2,4-triazol-3-yl]thio]-N-cyclopropyl-2-phenylacetamide IUPAC Name: 2-[[4-(3-chloro-4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopropyl-2-phenylacetamide Traditional Name: 2-[[4-(3-chloro-4-methyl-phenyl)-1,2,4-triazol-3-yl]thio]-N-cyclopropyl-2-phenyl-acetamide Formula: C20H19ClN4OS MolecularWeight: 398.90906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C=NN=C2SC(C3=CC=CC=C3)C(=O)NC4CC4)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C=NN=C2SC(C3=CC=CC=C3)C(=O)NC4CC4)Cl

InChI

InChI=1S/C20H19ClN4OS/c1-13-7-10-16(11-17(13)21)25-12-22-24-20(25)27-18(14-5-3-2-4-6-14)19(26)23-15-8-9-15/h2-7,10-12,15,18H,8-9H2,1H3,(H,23,26)