N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide

Systemtic Name: N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide Openeye Name: N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-3-(methoxymethyl)benzofuran-2-carboxamide CAS Name: N-[3-[4-cyclopentyl-5-(methylthio)-1,2,4-triazol-3-yl]propyl]-3-(methoxymethyl)-2-benzofurancarboxamide IUPAC Name: N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide Traditional Name: N-[3-[4-cyclopentyl-5-(methylthio)-1,2,4-triazol-3-yl]propyl]-3-(methoxymethyl)coumarilamide Formula: C22H28N4O3S MolecularWeight: 428.54772

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=C(OC2=CC=CC=C21)C(=O)NCCCC3=NN=C(N3C4CCCC4)SC

Isomeric SMILES

COCC1=C(OC2=CC=CC=C21)C(=O)NCCCC3=NN=C(N3C4CCCC4)SC

InChI

InChI=1S/C22H28N4O3S/c1-28-14-17-16-10-5-6-11-18(16)29-20(17)21(27)23-13-7-12-19-24-25-22(30-2)26(19)15-8-3-4-9-15/h5-6,10-11,15H,3-4,7-9,12-14H2,1-2H3,(H,23,27)