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

Systemtic Name: N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-3-methyl-1-benzofuran-2-carboxamide Openeye Name: N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-3-methyl-benzofuran-2-carboxamide CAS Name: N-[3-[4-cyclopentyl-5-(methylthio)-1,2,4-triazol-3-yl]propyl]-3-methyl-2-benzofurancarboxamide IUPAC Name: N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-3-methyl-1-benzofuran-2-carboxamide Traditional Name: N-[3-[4-cyclopentyl-5-(methylthio)-1,2,4-triazol-3-yl]propyl]-3-methyl-coumarilamide Formula: C21H26N4O2S MolecularWeight: 398.52174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC=CC=C12)C(=O)NCCCC3=NN=C(N3C4CCCC4)SC

Isomeric SMILES

CC1=C(OC2=CC=CC=C12)C(=O)NCCCC3=NN=C(N3C4CCCC4)SC

InChI

InChI=1S/C21H26N4O2S/c1-14-16-10-5-6-11-17(16)27-19(14)20(26)22-13-7-12-18-23-24-21(28-2)25(18)15-8-3-4-9-15/h5-6,10-11,15H,3-4,7-9,12-13H2,1-2H3,(H,22,26)