3-[5-[2-(2,5-diethylphenyl)-2-oxidanylidene-ethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]propanamide

Systemtic Name: 3-[5-[2-(2,5-diethylphenyl)-2-oxidanylidene-ethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[5-[2-(2,5-diethylphenyl)-2-oxo-ethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[5-[[2-(2,5-diethylphenyl)-2-oxoethyl]thio]-4-methyl-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[5-[2-(2,5-diethylphenyl)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[5-[[2-(2,5-diethylphenyl)-2-keto-ethyl]thio]-4-methyl-1,2,4-triazol-3-yl]propionamide Formula: C18H24N4O2S MolecularWeight: 360.47376

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)CC)C(=O)CSC2=NN=C(N2C)CCC(=O)N

Isomeric SMILES

CCC1=CC(=C(C=C1)CC)C(=O)CSC2=NN=C(N2C)CCC(=O)N

InChI

InChI=1S/C18H24N4O2S/c1-4-12-6-7-13(5-2)14(10-12)15(23)11-25-18-21-20-17(22(18)3)9-8-16(19)24/h6-7,10H,4-5,8-9,11H2,1-3H3,(H2,19,24)