2-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-ethylphenyl)propan-1-one

Systemtic Name: 2-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-ethylphenyl)propan-1-one Openeye Name: 2-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-ethylphenyl)propan-1-one CAS Name: 2-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-1-(4-ethylphenyl)-1-propanone IUPAC Name: 2-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-ethylphenyl)propan-1-one Traditional Name: 2-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-1-(4-ethylphenyl)propan-1-one Formula: C25H22ClN3OS MolecularWeight: 447.97968

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)C(C)SC2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)C(C)SC2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H22ClN3OS/c1-3-18-9-11-19(12-10-18)23(30)17(2)31-25-28-27-24(20-13-15-21(26)16-14-20)29(25)22-7-5-4-6-8-22/h4-17H,3H2,1-2H3