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

Systemtic Name: 1-phenyl-4-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]butan-1-one Openeye Name: 1-phenyl-4-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]sulfanyl]butan-1-one CAS Name: 1-phenyl-4-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)thio]-1-butanone IUPAC Name: 1-phenyl-4-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]butan-1-one Traditional Name: 1-phenyl-4-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]thio]butan-1-one Formula: C16H15N3OS2 MolecularWeight: 329.4398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3OS2/c20-13(12-6-2-1-3-7-12)8-4-11-22-16-17-15(18-19-16)14-9-5-10-21-14/h1-3,5-7,9-10H,4,8,11H2,(H,17,18,19)