5-(furan-2-yl)-N-(3-methoxyphenyl)-3-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)pyrazolidine-1-carbothioamide

Systemtic Name: 5-(furan-2-yl)-N-(3-methoxyphenyl)-3-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)pyrazolidine-1-carbothioamide Openeye Name: 5-(2-furyl)-N-(3-methoxyphenyl)-3-(4-oxocyclohexa-2,5-dien-1-ylidene)pyrazolidine-1-carbothioamide CAS Name: 5-(2-furanyl)-N-(3-methoxyphenyl)-3-(4-oxo-1-cyclohexa-2,5-dienylidene)-1-pyrazolidinecarbothioamide IUPAC Name: 5-(furan-2-yl)-N-(3-methoxyphenyl)-3-(4-oxocyclohexa-2,5-dien-1-ylidene)pyrazolidine-1-carbothioamide Traditional Name: 5-(2-furyl)-3-(4-ketocyclohexa-2,5-dien-1-ylidene)-N-(3-methoxyphenyl)pyrazolidine-1-carbothioamide Formula: C21H19N3O3S MolecularWeight: 393.45886

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=S)N2C(CC(=C3C=CC(=O)C=C3)N2)C4=CC=CO4

Isomeric SMILES

COC1=CC=CC(=C1)NC(=S)N2C(CC(=C3C=CC(=O)C=C3)N2)C4=CC=CO4

InChI

InChI=1S/C21H19N3O3S/c1-26-17-5-2-4-15(12-17)22-21(28)24-19(20-6-3-11-27-20)13-18(23-24)14-7-9-16(25)10-8-14/h2-12,19,23H,13H2,1H3,(H,22,28)