3-azanyl-6-methyl-2-oxidanylidene-4-(phenylmethylsulfanyl)pyridine-1-carboxylic acid; prop-1-ene

Systemtic Name: 3-azanyl-6-methyl-2-oxidanylidene-4-(phenylmethylsulfanyl)pyridine-1-carboxylic acid; prop-1-ene Openeye Name: 3-amino-4-benzylsulfanyl-6-methyl-2-oxo-pyridine-1-carboxylic acid; prop-1-ene CAS Name: 3-amino-6-methyl-2-oxo-4-(phenylmethylthio)-1-pyridinecarboxylic acid; 1-propene IUPAC Name: 3-amino-4-benzylsulfanyl-6-methyl-2-oxopyridine-1-carboxylic acid; prop-1-ene Traditional Name: 3-amino-4-(benzylthio)-2-keto-6-methyl-pyridine-1-carboxylic acid; prop-1-ene Formula: C17H20N2O3S MolecularWeight: 332.4173

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Descriptors Computed from Structure

Canonical SMILES:

CC=C.CC1=CC(=C(C(=O)N1C(=O)O)N)SCC2=CC=CC=C2

Isomeric SMILES

CC=C.CC1=CC(=C(C(=O)N1C(=O)O)N)SCC2=CC=CC=C2

InChI

InChI=1S/C14H14N2O3S.C3H6/c1-9-7-11(12(15)13(17)16(9)14(18)19)20-8-10-5-3-2-4-6-10;1-3-2/h2-7H,8,15H2,1H3,(H,18,19);3H,1H2,2H3