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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=NN2)SCCCC(=O)C3=CC=CS3

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=NN2)SCCCC(=O)C3=CC=CS3

InChI

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