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

Systemtic Name: 1-phenyl-2-[[5-[(2-phenylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]propan-1-one Openeye Name: 2-[[4-allyl-5-[(2-phenylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-propan-1-one CAS Name: 1-phenyl-2-[[5-[(2-phenylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-1-propanone IUPAC Name: 1-phenyl-2-[[5-[(2-phenylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]propan-1-one Traditional Name: 2-[[4-allyl-5-[(2-phenylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]-1-phenyl-propan-1-one Formula: C27H25N3O2S MolecularWeight: 455.5713

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=CC=C1)SC2=NN=C(N2CC=C)COC3=CC=CC=C3C4=CC=CC=C4

Isomeric SMILES

CC(C(=O)C1=CC=CC=C1)SC2=NN=C(N2CC=C)COC3=CC=CC=C3C4=CC=CC=C4

InChI

InChI=1S/C27H25N3O2S/c1-3-18-30-25(19-32-24-17-11-10-16-23(24)21-12-6-4-7-13-21)28-29-27(30)33-20(2)26(31)22-14-8-5-9-15-22/h3-17,20H,1,18-19H2,2H3