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

Systemtic Name: 4-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-thiophen-2-yl-butan-1-one Openeye Name: 4-[[5-(p-tolyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(2-thienyl)butan-1-one CAS Name: 4-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]thio]-1-thiophen-2-yl-1-butanone IUPAC Name: 4-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-thiophen-2-ylbutan-1-one Traditional Name: 4-[[5-(p-tolyl)-1H-1,2,4-triazol-3-yl]thio]-1-(2-thienyl)butan-1-one Formula: C17H17N3OS2 MolecularWeight: 343.46638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=NN2)SCCCC(=O)C3=CC=CS3

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=NN2)SCCCC(=O)C3=CC=CS3

InChI

InChI=1S/C17H17N3OS2/c1-12-6-8-13(9-7-12)16-18-17(20-19-16)23-11-2-4-14(21)15-5-3-10-22-15/h3,5-10H,2,4,11H2,1H3,(H,18,19,20)