N-[2-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoyl]thiophene-2-carboxamide

Systemtic Name: N-[2-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoyl]thiophene-2-carboxamide Openeye Name: N-[2-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]thiophene-2-carboxamide CAS Name: N-[2-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]-2-thiophenecarboxamide IUPAC Name: N-[2-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]thiophene-2-carboxamide Traditional Name: N-[2-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]acetyl]thiophene-2-carboxamide Formula: C20H22N4O3S2 MolecularWeight: 430.54368

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=C1SCC(=O)NC(=O)C2=CC=CS2)C3=CC=C(C=C3)OC

Isomeric SMILES

CCCCN1C(=NN=C1SCC(=O)NC(=O)C2=CC=CS2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C20H22N4O3S2/c1-3-4-11-24-18(14-7-9-15(27-2)10-8-14)22-23-20(24)29-13-17(25)21-19(26)16-6-5-12-28-16/h5-10,12H,3-4,11,13H2,1-2H3,(H,21,25,26)