2,2-bis(methoxymethyl)-3-oxidanyl-4-(1H-1,2,4-triazol-5-ylsulfanyl)-3,4-dihydrochromene-6-carbonitrile

Systemtic Name: 2,2-bis(methoxymethyl)-3-oxidanyl-4-(1H-1,2,4-triazol-5-ylsulfanyl)-3,4-dihydrochromene-6-carbonitrile Openeye Name: 3-hydroxy-2,2-bis(methoxymethyl)-4-(1H-1,2,4-triazol-5-ylsulfanyl)chromane-6-carbonitrile CAS Name: 3-hydroxy-2,2-bis(methoxymethyl)-4-(1H-1,2,4-triazol-5-ylthio)-3,4-dihydro-2H-1-benzopyran-6-carbonitrile IUPAC Name: 3-hydroxy-2,2-bis(methoxymethyl)-4-(1H-1,2,4-triazol-5-ylsulfanyl)-3,4-dihydrochromene-6-carbonitrile Traditional Name: 3-hydroxy-2,2-bis(methoxymethyl)-4-(1H-1,2,4-triazol-5-ylthio)chroman-6-carbonitrile Formula: C16H18N4O4S MolecularWeight: 362.40352

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Descriptors Computed from Structure

Canonical SMILES:

COCC1(C(C(C2=C(O1)C=CC(=C2)C#N)SC3=NC=NN3)O)COC

Isomeric SMILES

COCC1(C(C(C2=C(O1)C=CC(=C2)C#N)SC3=NC=NN3)O)COC

InChI

InChI=1S/C16H18N4O4S/c1-22-7-16(8-23-2)14(21)13(25-15-18-9-19-20-15)11-5-10(6-17)3-4-12(11)24-16/h3-5,9,13-14,21H,7-8H2,1-2H3,(H,18,19,20)