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

Systemtic Name: N-[2-[4-(3-chloranyl-4-methyl-phenyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]ethyl]ethanamide Openeye Name: N-[2-[4-(3-chloro-4-methyl-phenyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]ethyl]acetamide CAS Name: N-[2-[4-(3-chloro-4-methylphenyl)-5-(phenacylthio)-1,2,4-triazol-3-yl]ethyl]acetamide IUPAC Name: N-[2-[4-(3-chloro-4-methylphenyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]ethyl]acetamide Traditional Name: N-[2-[4-(3-chloro-4-methyl-phenyl)-5-(phenacylthio)-1,2,4-triazol-3-yl]ethyl]acetamide Formula: C21H21ClN4O2S MolecularWeight: 428.93504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=NN=C2SCC(=O)C3=CC=CC=C3)CCNC(=O)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=NN=C2SCC(=O)C3=CC=CC=C3)CCNC(=O)C)Cl

InChI

InChI=1S/C21H21ClN4O2S/c1-14-8-9-17(12-18(14)22)26-20(10-11-23-15(2)27)24-25-21(26)29-13-19(28)16-6-4-3-5-7-16/h3-9,12H,10-11,13H2,1-2H3,(H,23,27)