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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCSC1=NN=C(N1C2=CC=CC=C2)C3=CC=CS3

Isomeric SMILES

CC(=O)CCSC1=NN=C(N1C2=CC=CC=C2)C3=CC=CS3

InChI

InChI=1S/C16H15N3OS2/c1-12(20)9-11-22-16-18-17-15(14-8-5-10-21-14)19(16)13-6-3-2-4-7-13/h2-8,10H,9,11H2,1H3