(3Z)-4-[hydroxymethyl-[2-(phenylmethylsulfanyl)ethyl]amino]-3-(6-imidazol-1-yl-4-methyl-1,3-dihydrobenzimidazol-2-ylidene)pyridin-2-one

Systemtic Name: (3Z)-4-[hydroxymethyl-[2-(phenylmethylsulfanyl)ethyl]amino]-3-(6-imidazol-1-yl-4-methyl-1,3-dihydrobenzimidazol-2-ylidene)pyridin-2-one Openeye Name: (3Z)-4-[2-benzylsulfanylethyl(hydroxymethyl)amino]-3-(6-imidazol-1-yl-4-methyl-1,3-dihydrobenzimidazol-2-ylidene)pyridin-2-one CAS Name: (3Z)-4-[hydroxymethyl-[2-(phenylmethylthio)ethyl]amino]-3-[6-(1-imidazolyl)-4-methyl-1,3-dihydrobenzimidazol-2-ylidene]-2-pyridinone IUPAC Name: (3Z)-4-[2-benzylsulfanylethyl(hydroxymethyl)amino]-3-(6-imidazol-1-yl-4-methyl-1,3-dihydrobenzimidazol-2-ylidene)pyridin-2-one Traditional Name: (3Z)-4-[2-(benzylthio)ethyl-methylol-amino]-3-(6-imidazol-1-yl-4-methyl-1,3-dihydrobenzimidazol-2-ylidene)-2-pyridone Formula: C26H26N6O2S MolecularWeight: 486.58864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC2=C1NC(=C3C(=CC=NC3=O)N(CCSCC4=CC=CC=C4)CO)N2)N5C=CN=C5

Isomeric SMILES

CC1=CC(=CC2=C1N/C(=C\3/C(=CC=NC3=O)N(CCSCC4=CC=CC=C4)CO)/N2)N5C=CN=C5

InChI

InChI=1S/C26H26N6O2S/c1-18-13-20(31-10-9-27-16-31)14-21-24(18)30-25(29-21)23-22(7-8-28-26(23)34)32(17-33)11-12-35-15-19-5-3-2-4-6-19/h2-10,13-14,16,29-30,33H,11-12,15,17H2,1H3/b25-23-