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

Systemtic Name: N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1-benzofuran-2-carboxamide Openeye Name: N-[2-(p-tolylmethylsulfanyl)ethyl]-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzofuran-2-carboxamide CAS Name: N-[2-[(4-methylphenyl)methylthio]ethyl]-3-[(1H-1,2,4-triazol-5-ylthio)methyl]-2-benzofurancarboxamide IUPAC Name: N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1-benzofuran-2-carboxamide Traditional Name: N-[2-[(4-methylbenzyl)thio]ethyl]-3-[(1H-1,2,4-triazol-5-ylthio)methyl]coumarilamide Formula: C22H22N4O2S2 MolecularWeight: 438.56568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N4O2S2/c1-15-6-8-16(9-7-15)12-29-11-10-23-21(27)20-18(13-30-22-24-14-25-26-22)17-4-2-3-5-19(17)28-20/h2-9,14H,10-13H2,1H3,(H,23,27)(H,24,25,26)