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

Systemtic Name: 1-phenyl-4-[[5-[(E)-2-thiophen-2-ylethenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]butan-1-one Openeye Name: 1-phenyl-4-[[5-[(E)-2-(2-thienyl)vinyl]-1H-1,2,4-triazol-3-yl]sulfanyl]butan-1-one CAS Name: 1-phenyl-4-[[5-[(E)-2-thiophen-2-ylethenyl]-1H-1,2,4-triazol-3-yl]thio]-1-butanone IUPAC Name: 1-phenyl-4-[[5-[(E)-2-thiophen-2-ylethenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]butan-1-one Traditional Name: 1-phenyl-4-[[5-[(E)-2-(2-thienyl)vinyl]-1H-1,2,4-triazol-3-yl]thio]butan-1-one Formula: C18H17N3OS2 MolecularWeight: 355.47708

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CCCSC2=NNC(=N2)C=CC3=CC=CS3

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CCCSC2=NNC(=N2)/C=C/C3=CC=CS3

InChI

InChI=1S/C18H17N3OS2/c22-16(14-6-2-1-3-7-14)9-5-13-24-18-19-17(20-21-18)11-10-15-8-4-12-23-15/h1-4,6-8,10-12H,5,9,13H2,(H,19,20,21)/b11-10+