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

Systemtic Name: 2-[[5-(4-chlorophenyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-ethylphenyl)propan-1-one Openeye Name: 2-[[4-benzyl-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-ethylphenyl)propan-1-one CAS Name: 2-[[5-(4-chlorophenyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-1-(4-ethylphenyl)-1-propanone IUPAC Name: 2-[[4-benzyl-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-ethylphenyl)propan-1-one Traditional Name: 2-[[4-benzyl-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]thio]-1-(4-ethylphenyl)propan-1-one Formula: C26H24ClN3OS MolecularWeight: 462.00626

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)C(C)SC2=NN=C(N2CC3=CC=CC=C3)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)C(C)SC2=NN=C(N2CC3=CC=CC=C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C26H24ClN3OS/c1-3-19-9-11-21(12-10-19)24(31)18(2)32-26-29-28-25(22-13-15-23(27)16-14-22)30(26)17-20-7-5-4-6-8-20/h4-16,18H,3,17H2,1-2H3