3-[5-(hydroxymethyl)-2-[2-(3-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-imidazol-1-yl]propanenitrile

Systemtic Name: 3-[5-(hydroxymethyl)-2-[2-(3-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-imidazol-1-yl]propanenitrile Openeye Name: 3-[5-(hydroxymethyl)-2-[2-(3-methoxyphenyl)-2-oxo-ethyl]sulfanyl-imidazol-1-yl]propanenitrile CAS Name: 3-[5-(hydroxymethyl)-2-[[2-(3-methoxyphenyl)-2-oxoethyl]thio]-1-imidazolyl]propanenitrile IUPAC Name: 3-[5-(hydroxymethyl)-2-[2-(3-methoxyphenyl)-2-oxoethyl]sulfanylimidazol-1-yl]propanenitrile Traditional Name: 3-[2-[[2-keto-2-(3-methoxyphenyl)ethyl]thio]-5-methylol-imidazol-1-yl]propionitrile Formula: C16H17N3O3S MolecularWeight: 331.38948

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)CSC2=NC=C(N2CCC#N)CO

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)CSC2=NC=C(N2CCC#N)CO

InChI

InChI=1S/C16H17N3O3S/c1-22-14-5-2-4-12(8-14)15(21)11-23-16-18-9-13(10-20)19(16)7-3-6-17/h2,4-5,8-9,20H,3,7,10-11H2,1H3