4-(1,3-benzodioxol-5-yl)-2-methyl-6-methylsulfanyl-benzenecarbonitrile

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-2-methyl-6-methylsulfanyl-benzenecarbonitrile Openeye Name: 4-(1,3-benzodioxol-5-yl)-2-methyl-6-methylsulfanyl-benzonitrile CAS Name: 4-(1,3-benzodioxol-5-yl)-2-methyl-6-(methylthio)benzonitrile IUPAC Name: 4-(1,3-benzodioxol-5-yl)-2-methyl-6-methylsulfanylbenzonitrile Traditional Name: 4-(1,3-benzodioxol-5-yl)-2-methyl-6-(methylthio)benzonitrile Formula: C16H13NO2S MolecularWeight: 283.34492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C2=CC3=C(C=C2)OCO3)SC)C#N

Isomeric SMILES

CC1=C(C(=CC(=C1)C2=CC3=C(C=C2)OCO3)SC)C#N

InChI

InChI=1S/C16H13NO2S/c1-10-5-12(7-16(20-2)13(10)8-17)11-3-4-14-15(6-11)19-9-18-14/h3-7H,9H2,1-2H3