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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(C2=CC=CC=C2)SC3=NNC(=N3)C4CC4)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C(C2=CC=CC=C2)SC3=NNC(=N3)C4CC4)Cl

InChI

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