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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2CC(=NN2C(=S)N)C3=CC=CS3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)[C@@H]2CC(=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/h3-8,12H,9H2,1-2H3,(H2,17,22)/t12-/m0/s1