(3E)-N-methyl-3-(5-methyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)pyrazolidine-1-carbothioamide

Systemtic Name: (3E)-N-methyl-3-(5-methyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)pyrazolidine-1-carbothioamide Openeye Name: (3E)-N-methyl-3-(5-methyl-6-oxo-cyclohexa-2,4-dien-1-ylidene)pyrazolidine-1-carbothioamide CAS Name: (3E)-N-methyl-3-(5-methyl-6-oxo-1-cyclohexa-2,4-dienylidene)-1-pyrazolidinecarbothioamide IUPAC Name: (3E)-N-methyl-3-(5-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)pyrazolidine-1-carbothioamide Traditional Name: (3E)-3-(6-keto-5-methyl-cyclohexa-2,4-dien-1-ylidene)-N-methyl-pyrazolidine-1-carbothioamide Formula: C12H15N3OS MolecularWeight: 249.332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C2CCN(N2)C(=S)NC)C1=O

Isomeric SMILES

CC1=CC=C/C(=C\2/CCN(N2)C(=S)NC)/C1=O

InChI

InChI=1S/C12H15N3OS/c1-8-4-3-5-9(11(8)16)10-6-7-15(14-10)12(17)13-2/h3-5,14H,6-7H2,1-2H3,(H,13,17)/b10-9+