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

Systemtic Name: 1-(4-ethylphenyl)-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Openeye Name: 1-(4-ethylphenyl)-2-[[4-methyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]propan-1-one CAS Name: 1-(4-ethylphenyl)-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-1-propanone IUPAC Name: 1-(4-ethylphenyl)-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Traditional Name: 1-(4-ethylphenyl)-2-[[4-methyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]propan-1-one Formula: C18H19N3OS2 MolecularWeight: 357.49296

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)C(C)SC2=NN=C(N2C)C3=CC=CS3

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)C(C)SC2=NN=C(N2C)C3=CC=CS3

InChI

InChI=1S/C18H19N3OS2/c1-4-13-7-9-14(10-8-13)16(22)12(2)24-18-20-19-17(21(18)3)15-6-5-11-23-15/h5-12H,4H2,1-3H3