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

Systemtic Name: 2-[[5-(3-chloranyl-4-methyl-phenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone Openeye Name: 2-[[5-(3-chloro-4-methyl-phenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone CAS Name: 2-[[5-(3-chloro-4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-1-phenylethanone IUPAC Name: 2-[[5-(3-chloro-4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone Traditional Name: 2-[[5-(3-chloro-4-methyl-phenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-1-phenyl-ethanone Formula: C23H18ClN3OS MolecularWeight: 419.92652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)C4=CC=CC=C4)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)C4=CC=CC=C4)Cl

InChI

InChI=1S/C23H18ClN3OS/c1-16-12-13-18(14-20(16)24)22-25-26-23(27(22)19-10-6-3-7-11-19)29-15-21(28)17-8-4-2-5-9-17/h2-14H,15H2,1H3