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

Systemtic Name: 2-[[5-(4-chlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-propan-1-one Openeye Name: 2-[[4-allyl-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-propan-1-one CAS Name: 2-[[5-(4-chlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-1-phenyl-1-propanone IUPAC Name: 2-[[5-(4-chlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenylpropan-1-one Traditional Name: 2-[[4-allyl-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]thio]-1-phenyl-propan-1-one Formula: C20H18ClN3OS MolecularWeight: 383.89442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=CC=C1)SC2=NN=C(N2CC=C)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C(=O)C1=CC=CC=C1)SC2=NN=C(N2CC=C)C3=CC=C(C=C3)Cl

InChI

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