3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-1,3-dihydropyrazole-2-carbothioamide

Systemtic Name: 3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-1,3-dihydropyrazole-2-carbothioamide Openeye Name: 3-(3,4-dimethoxyphenyl)-5-(2-thienyl)-1,3-dihydropyrazole-2-carbothioamide CAS Name: 3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-1,3-dihydropyrazole-2-carbothioamide IUPAC Name: 3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-1,3-dihydropyrazole-2-carbothioamide Traditional Name: 5-(3,4-dimethoxyphenyl)-3-(2-thienyl)-3-pyrazoline-1-carbothioamide Formula: C16H17N3O2S2 MolecularWeight: 347.45508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2C=C(NN2C(=S)N)C3=CC=CS3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2C=C(NN2C(=S)N)C3=CC=CS3)OC

InChI

InChI=1S/C16H17N3O2S2/c1-20-13-6-5-10(8-14(13)21-2)12-9-11(15-4-3-7-23-15)18-19(12)16(17)22/h3-9,12,18H,1-2H3,(H2,17,22)