4-(3,5-dimethylphenyl)sulfanyl-3-nitro-6-(3-oxidanylpropyl)-1H-pyridin-2-one

Systemtic Name: 4-(3,5-dimethylphenyl)sulfanyl-3-nitro-6-(3-oxidanylpropyl)-1H-pyridin-2-one Openeye Name: 4-(3,5-dimethylphenyl)sulfanyl-6-(3-hydroxypropyl)-3-nitro-1H-pyridin-2-one CAS Name: 4-[(3,5-dimethylphenyl)thio]-6-(3-hydroxypropyl)-3-nitro-1H-pyridin-2-one IUPAC Name: 4-(3,5-dimethylphenyl)sulfanyl-6-(3-hydroxypropyl)-3-nitro-1H-pyridin-2-one Traditional Name: 4-[(3,5-dimethylphenyl)thio]-6-(3-hydroxypropyl)-3-nitro-2-pyridone Formula: C16H18N2O4S MolecularWeight: 334.39012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)SC2=C(C(=O)NC(=C2)CCCO)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1)SC2=C(C(=O)NC(=C2)CCCO)[N+](=O)[O-])C

InChI

InChI=1S/C16H18N2O4S/c1-10-6-11(2)8-13(7-10)23-14-9-12(4-3-5-19)17-16(20)15(14)18(21)22/h6-9,19H,3-5H2,1-2H3,(H,17,20)