4-[1-(4-carbamimidoylphenyl)-2-(pyridin-4-ylmethylsulfanyl)imidazol-4-yl]benzenecarboximidamide

Systemtic Name: 4-[1-(4-carbamimidoylphenyl)-2-(pyridin-4-ylmethylsulfanyl)imidazol-4-yl]benzenecarboximidamide Openeye Name: 4-[1-(4-carbamimidoylphenyl)-2-(4-pyridylmethylsulfanyl)imidazol-4-yl]benzamidine CAS Name: 4-[1-(4-carbamimidoylphenyl)-2-(pyridin-4-ylmethylthio)-4-imidazolyl]benzenecarboximidamide IUPAC Name: 4-[1-(4-carbamimidoylphenyl)-2-(pyridin-4-ylmethylsulfanyl)imidazol-4-yl]benzenecarboximidamide Traditional Name: 4-[1-(4-amidinophenyl)-2-(4-pyridylmethylthio)imidazol-4-yl]benzamidine Formula: C23H21N7S MolecularWeight: 427.52474

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CN(C(=N2)SCC3=CC=NC=C3)C4=CC=C(C=C4)C(=N)N)C(=N)N

Isomeric SMILES

C1=CC(=CC=C1C2=CN(C(=N2)SCC3=CC=NC=C3)C4=CC=C(C=C4)C(=N)N)C(=N)N

InChI

InChI=1S/C23H21N7S/c24-21(25)17-3-1-16(2-4-17)20-13-30(19-7-5-18(6-8-19)22(26)27)23(29-20)31-14-15-9-11-28-12-10-15/h1-13H,14H2,(H3,24,25)(H3,26,27)