2-(3-azanyl-2-oxidanyl-propoxy)-4-methyl-3-(1-sulfanylhex-5-enyl)benzenecarbonitrile

Systemtic Name: 2-(3-azanyl-2-oxidanyl-propoxy)-4-methyl-3-(1-sulfanylhex-5-enyl)benzenecarbonitrile Openeye Name: 2-(3-amino-2-hydroxy-propoxy)-4-methyl-3-(1-sulfanylhex-5-enyl)benzonitrile CAS Name: 2-(3-amino-2-hydroxypropoxy)-3-(1-mercaptohex-5-enyl)-4-methylbenzonitrile IUPAC Name: 2-(3-amino-2-hydroxypropoxy)-4-methyl-3-(1-sulfanylhex-5-enyl)benzonitrile Traditional Name: 2-(3-amino-2-hydroxy-propoxy)-3-(1-mercaptohex-5-enyl)-4-methyl-benzonitrile Formula: C17H24N2O2S MolecularWeight: 320.44966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C#N)OCC(CN)O)C(CCCC=C)S

Isomeric SMILES

CC1=C(C(=C(C=C1)C#N)OCC(CN)O)C(CCCC=C)S

InChI

InChI=1S/C17H24N2O2S/c1-3-4-5-6-15(22)16-12(2)7-8-13(9-18)17(16)21-11-14(20)10-19/h3,7-8,14-15,20,22H,1,4-6,10-11,19H2,2H3