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

Systemtic Name: N-(2-chloranyl-4-methyl-phenyl)-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(2-chloro-4-methyl-phenyl)-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(2-chloro-4-methylphenyl)-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(2-chloro-4-methylphenyl)-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(2-chloro-4-methyl-phenyl)-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C20H19ClN4OS MolecularWeight: 398.90906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CSC2=NN(C(=N2)C3CC3)C4=CC=CC=C4)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CSC2=NN(C(=N2)C3CC3)C4=CC=CC=C4)Cl

InChI

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