(3Z)-5-(furan-2-yl)-N-(2-methoxyphenyl)-3-(3-methyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)pyrazolidine-1-carbothioamide

Systemtic Name: (3Z)-5-(furan-2-yl)-N-(2-methoxyphenyl)-3-(3-methyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)pyrazolidine-1-carbothioamide Openeye Name: (3Z)-5-(2-furyl)-N-(2-methoxyphenyl)-3-(3-methyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)pyrazolidine-1-carbothioamide CAS Name: (3Z)-5-(2-furanyl)-N-(2-methoxyphenyl)-3-(3-methyl-4-oxo-1-cyclohexa-2,5-dienylidene)-1-pyrazolidinecarbothioamide IUPAC Name: (3Z)-5-(furan-2-yl)-N-(2-methoxyphenyl)-3-(3-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)pyrazolidine-1-carbothioamide Traditional Name: (3Z)-5-(2-furyl)-3-(4-keto-3-methyl-cyclohexa-2,5-dien-1-ylidene)-N-(2-methoxyphenyl)pyrazolidine-1-carbothioamide Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2CC(N(N2)C(=S)NC3=CC=CC=C3OC)C4=CC=CO4)C=CC1=O

Isomeric SMILES

CC1=C/C(=C\2/CC(N(N2)C(=S)NC3=CC=CC=C3OC)C4=CC=CO4)/C=CC1=O

InChI

InChI=1S/C22H21N3O3S/c1-14-12-15(9-10-19(14)26)17-13-18(21-8-5-11-28-21)25(24-17)22(29)23-16-6-3-4-7-20(16)27-2/h3-12,18,24H,13H2,1-2H3,(H,23,29)/b17-15-