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

Systemtic Name: 4-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-thiophen-2-yl-butan-1-one Openeye Name: 4-[[4-methyl-5-(o-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(2-thienyl)butan-1-one CAS Name: 4-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]-1-thiophen-2-yl-1-butanone IUPAC Name: 4-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-thiophen-2-ylbutan-1-one Traditional Name: 4-[[4-methyl-5-(o-tolyl)-1,2,4-triazol-3-yl]thio]-1-(2-thienyl)butan-1-one Formula: C18H19N3OS2 MolecularWeight: 357.49296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NN=C(N2C)SCCCC(=O)C3=CC=CS3

Isomeric SMILES

CC1=CC=CC=C1C2=NN=C(N2C)SCCCC(=O)C3=CC=CS3

InChI

InChI=1S/C18H19N3OS2/c1-13-7-3-4-8-14(13)17-19-20-18(21(17)2)24-12-5-9-15(22)16-10-6-11-23-16/h3-4,6-8,10-11H,5,9,12H2,1-2H3