1-phenyl-4-[[5-[(E)-2-phenylethenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]butan-1-one

Systemtic Name: 1-phenyl-4-[[5-[(E)-2-phenylethenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]butan-1-one Openeye Name: 1-phenyl-4-[[5-[(E)-styryl]-1H-1,2,4-triazol-3-yl]sulfanyl]butan-1-one CAS Name: 1-phenyl-4-[[5-[(E)-2-phenylethenyl]-1H-1,2,4-triazol-3-yl]thio]-1-butanone IUPAC Name: 1-phenyl-4-[[5-[(E)-2-phenylethenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]butan-1-one Traditional Name: 1-phenyl-4-[[5-[(E)-styryl]-1H-1,2,4-triazol-3-yl]thio]butan-1-one Formula: C20H19N3OS MolecularWeight: 349.44936

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CC2=NC(=NN2)SCCCC(=O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)/C=C/C2=NC(=NN2)SCCCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H19N3OS/c24-18(17-10-5-2-6-11-17)12-7-15-25-20-21-19(22-23-20)14-13-16-8-3-1-4-9-16/h1-6,8-11,13-14H,7,12,15H2,(H,21,22,23)/b14-13+