2-[[5-(3-chloranyl-4-methyl-phenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone

Systemtic Name: 2-[[5-(3-chloranyl-4-methyl-phenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone Openeye Name: 2-[[4-allyl-5-(3-chloro-4-methyl-phenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone CAS Name: 2-[[5-(3-chloro-4-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-1-phenylethanone IUPAC Name: 2-[[5-(3-chloro-4-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone Traditional Name: 2-[[4-allyl-5-(3-chloro-4-methyl-phenyl)-1,2,4-triazol-3-yl]thio]-1-phenyl-ethanone Formula: C20H18ClN3OS MolecularWeight: 383.89442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN=C(N2CC=C)SCC(=O)C3=CC=CC=C3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN=C(N2CC=C)SCC(=O)C3=CC=CC=C3)Cl

InChI

InChI=1S/C20H18ClN3OS/c1-3-11-24-19(16-10-9-14(2)17(21)12-16)22-23-20(24)26-13-18(25)15-7-5-4-6-8-15/h3-10,12H,1,11,13H2,2H3