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

Systemtic Name: 3-[3-[2-(4-hexylphenyl)-2-oxidanylidene-ethyl]sulfanyl-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanamide Openeye Name: 3-[3-[2-(4-hexylphenyl)-2-oxo-ethyl]sulfanyl-5-(2-thienyl)-1,2,4-triazol-4-yl]propanamide CAS Name: 3-[3-[[2-(4-hexylphenyl)-2-oxoethyl]thio]-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanamide IUPAC Name: 3-[3-[2-(4-hexylphenyl)-2-oxoethyl]sulfanyl-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanamide Traditional Name: 3-[3-[[2-(4-hexylphenyl)-2-keto-ethyl]thio]-5-(2-thienyl)-1,2,4-triazol-4-yl]propionamide Formula: C23H28N4O2S2 MolecularWeight: 456.62402

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2CCC(=O)N)C3=CC=CS3

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2CCC(=O)N)C3=CC=CS3

InChI

InChI=1S/C23H28N4O2S2/c1-2-3-4-5-7-17-9-11-18(12-10-17)19(28)16-31-23-26-25-22(20-8-6-15-30-20)27(23)14-13-21(24)29/h6,8-12,15H,2-5,7,13-14,16H2,1H3,(H2,24,29)