(3Z)-5-(4-chlorophenyl)-3-(3-methyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)pyrazolidine-1-carbothioamide

Systemtic Name: (3Z)-5-(4-chlorophenyl)-3-(3-methyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)pyrazolidine-1-carbothioamide Openeye Name: (3Z)-5-(4-chlorophenyl)-3-(3-methyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)pyrazolidine-1-carbothioamide CAS Name: (3Z)-5-(4-chlorophenyl)-3-(3-methyl-4-oxo-1-cyclohexa-2,5-dienylidene)-1-pyrazolidinecarbothioamide IUPAC Name: (3Z)-5-(4-chlorophenyl)-3-(3-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)pyrazolidine-1-carbothioamide Traditional Name: (3Z)-5-(4-chlorophenyl)-3-(4-keto-3-methyl-cyclohexa-2,5-dien-1-ylidene)pyrazolidine-1-carbothioamide Formula: C17H16ClN3OS MolecularWeight: 345.84644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2CC(N(N2)C(=S)N)C3=CC=C(C=C3)Cl)C=CC1=O

Isomeric SMILES

CC1=C/C(=C\2/CC(N(N2)C(=S)N)C3=CC=C(C=C3)Cl)/C=CC1=O

InChI

InChI=1S/C17H16ClN3OS/c1-10-8-12(4-7-16(10)22)14-9-15(21(20-14)17(19)23)11-2-5-13(18)6-3-11/h2-8,15,20H,9H2,1H3,(H2,19,23)/b14-12-