2,2-bis(methoxymethyl)-4-(1-methylimidazol-2-yl)sulfanyl-3-oxidanyl-3,4-dihydrochromene-6-carbonitrile

Systemtic Name: 2,2-bis(methoxymethyl)-4-(1-methylimidazol-2-yl)sulfanyl-3-oxidanyl-3,4-dihydrochromene-6-carbonitrile Openeye Name: 3-hydroxy-2,2-bis(methoxymethyl)-4-(1-methylimidazol-2-yl)sulfanyl-chromane-6-carbonitrile CAS Name: 3-hydroxy-2,2-bis(methoxymethyl)-4-[(1-methyl-2-imidazolyl)thio]-3,4-dihydro-2H-1-benzopyran-6-carbonitrile IUPAC Name: 3-hydroxy-2,2-bis(methoxymethyl)-4-(1-methylimidazol-2-yl)sulfanyl-3,4-dihydrochromene-6-carbonitrile Traditional Name: 3-hydroxy-2,2-bis(methoxymethyl)-4-[(1-methylimidazol-2-yl)thio]chroman-6-carbonitrile Formula: C18H21N3O4S MolecularWeight: 375.44204

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SC2C(C(OC3=C2C=C(C=C3)C#N)(COC)COC)O

Isomeric SMILES

CN1C=CN=C1SC2C(C(OC3=C2C=C(C=C3)C#N)(COC)COC)O

InChI

InChI=1S/C18H21N3O4S/c1-21-7-6-20-17(21)26-15-13-8-12(9-19)4-5-14(13)25-18(10-23-2,11-24-3)16(15)22/h4-8,15-16,22H,10-11H2,1-3H3