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

Systemtic Name: N-[3-(3-methylphenoxy)propyl]-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1-benzofuran-2-carboxamide Openeye Name: N-[3-(3-methylphenoxy)propyl]-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzofuran-2-carboxamide CAS Name: N-[3-(3-methylphenoxy)propyl]-3-[(1H-1,2,4-triazol-5-ylthio)methyl]-2-benzofurancarboxamide IUPAC Name: N-[3-(3-methylphenoxy)propyl]-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1-benzofuran-2-carboxamide Traditional Name: N-[3-(3-methylphenoxy)propyl]-3-[(1H-1,2,4-triazol-5-ylthio)methyl]coumarilamide Formula: C22H22N4O3S MolecularWeight: 422.50008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCCNC(=O)C2=C(C3=CC=CC=C3O2)CSC4=NC=NN4

Isomeric SMILES

CC1=CC(=CC=C1)OCCCNC(=O)C2=C(C3=CC=CC=C3O2)CSC4=NC=NN4

InChI

InChI=1S/C22H22N4O3S/c1-15-6-4-7-16(12-15)28-11-5-10-23-21(27)20-18(13-30-22-24-14-25-26-22)17-8-2-3-9-19(17)29-20/h2-4,6-9,12,14H,5,10-11,13H2,1H3,(H,23,27)(H,24,25,26)