N-[2-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-2-methyl-phenyl]sulfanylethyl]pyrazine-2-carboxamide

Systemtic Name: N-[2-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-2-methyl-phenyl]sulfanylethyl]pyrazine-2-carboxamide Openeye Name: N-[2-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-2-methyl-phenyl]sulfanylethyl]pyrazine-2-carboxamide CAS Name: N-[2-[[3-[(1H-benzimidazol-2-ylthio)methyl]-2-methylphenyl]thio]ethyl]-2-pyrazinecarboxamide IUPAC Name: N-[2-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-2-methylphenyl]sulfanylethyl]pyrazine-2-carboxamide Traditional Name: N-[2-[[3-[(1H-benzimidazol-2-ylthio)methyl]-2-methyl-phenyl]thio]ethyl]pyrazinamide Formula: C22H21N5OS2 MolecularWeight: 435.56504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1SCCNC(=O)C2=NC=CN=C2)CSC3=NC4=CC=CC=C4N3

Isomeric SMILES

CC1=C(C=CC=C1SCCNC(=O)C2=NC=CN=C2)CSC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C22H21N5OS2/c1-15-16(14-30-22-26-17-6-2-3-7-18(17)27-22)5-4-8-20(15)29-12-11-25-21(28)19-13-23-9-10-24-19/h2-10,13H,11-12,14H2,1H3,(H,25,28)(H,26,27)