N-(2-chloranyl-4-methyl-phenyl)-2-[(5-oxidanylidene-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide

Systemtic Name: N-(2-chloranyl-4-methyl-phenyl)-2-[(5-oxidanylidene-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-(2-chloro-4-methyl-phenyl)-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: N-(2-chloro-4-methylphenyl)-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-(2-chloro-4-methylphenyl)-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-(2-chloro-4-methyl-phenyl)-2-[(5-keto-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]propionamide Formula: C20H21ClN4O2S MolecularWeight: 416.92434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C(C)SC2=NNC(=O)N2CCC3=CC=CC=C3)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C(C)SC2=NNC(=O)N2CCC3=CC=CC=C3)Cl

InChI

InChI=1S/C20H21ClN4O2S/c1-13-8-9-17(16(21)12-13)22-18(26)14(2)28-20-24-23-19(27)25(20)11-10-15-6-4-3-5-7-15/h3-9,12,14H,10-11H2,1-2H3,(H,22,26)(H,23,27)