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

Systemtic Name: (3E)-4-[hydroxymethyl-[2-[(3-methylphenyl)methylsulfanyl]ethyl]amino]-3-(6-imidazol-1-yl-4-methyl-1,3-dihydrobenzimidazol-2-ylidene)pyridin-2-one Openeye Name: (3E)-4-[hydroxymethyl-[2-(m-tolylmethylsulfanyl)ethyl]amino]-3-(6-imidazol-1-yl-4-methyl-1,3-dihydrobenzimidazol-2-ylidene)pyridin-2-one CAS Name: (3E)-4-[hydroxymethyl-[2-[(3-methylphenyl)methylthio]ethyl]amino]-3-[6-(1-imidazolyl)-4-methyl-1,3-dihydrobenzimidazol-2-ylidene]-2-pyridinone IUPAC Name: (3E)-4-[hydroxymethyl-[2-[(3-methylphenyl)methylsulfanyl]ethyl]amino]-3-(6-imidazol-1-yl-4-methyl-1,3-dihydrobenzimidazol-2-ylidene)pyridin-2-one Traditional Name: (3E)-3-(6-imidazol-1-yl-4-methyl-1,3-dihydrobenzimidazol-2-ylidene)-4-[2-[(3-methylbenzyl)thio]ethyl-methylol-amino]-2-pyridone Formula: C27H28N6O2S MolecularWeight: 500.61522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSCCN(CO)C2=CC=NC(=O)C2=C3NC4=C(N3)C(=CC(=C4)N5C=CN=C5)C

Isomeric SMILES

CC1=CC(=CC=C1)CSCCN(CO)C\2=CC=NC(=O)/C2=C/3\NC4=C(N3)C(=CC(=C4)N5C=CN=C5)C

InChI

InChI=1S/C27H28N6O2S/c1-18-4-3-5-20(12-18)15-36-11-10-33(17-34)23-6-7-29-27(35)24(23)26-30-22-14-21(32-9-8-28-16-32)13-19(2)25(22)31-26/h3-9,12-14,16,30-31,34H,10-11,15,17H2,1-2H3/b26-24+