N-[1-(4-ethylphenyl)ethyl]-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1-benzofuran-2-carboxamide

Systemtic Name: N-[1-(4-ethylphenyl)ethyl]-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1-benzofuran-2-carboxamide Openeye Name: N-[1-(4-ethylphenyl)ethyl]-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzofuran-2-carboxamide CAS Name: N-[1-(4-ethylphenyl)ethyl]-3-[(1H-1,2,4-triazol-5-ylthio)methyl]-2-benzofurancarboxamide IUPAC Name: N-[1-(4-ethylphenyl)ethyl]-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1-benzofuran-2-carboxamide Traditional Name: N-[1-(4-ethylphenyl)ethyl]-3-[(1H-1,2,4-triazol-5-ylthio)methyl]coumarilamide Formula: C22H22N4O2S MolecularWeight: 406.50068

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C)NC(=O)C2=C(C3=CC=CC=C3O2)CSC4=NC=NN4

Isomeric SMILES

CCC1=CC=C(C=C1)C(C)NC(=O)C2=C(C3=CC=CC=C3O2)CSC4=NC=NN4

InChI

InChI=1S/C22H22N4O2S/c1-3-15-8-10-16(11-9-15)14(2)25-21(27)20-18(12-29-22-23-13-24-26-22)17-6-4-5-7-19(17)28-20/h4-11,13-14H,3,12H2,1-2H3,(H,25,27)(H,23,24,26)