1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propan-1-one

Systemtic Name: 1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propan-1-one Openeye Name: 1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propan-1-one CAS Name: 1-[2-(2,4-dimethoxyphenyl)-1-pyrrolidinyl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)-1-propanone IUPAC Name: 1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propan-1-one Traditional Name: 1-[2-(2,4-dimethoxyphenyl)pyrrolidino]-3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propan-1-one Formula: C21H24N4O3S2 MolecularWeight: 444.57026

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2CCCN2C(=O)CCN3C(=NNC3=S)C4=CC=CS4)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C2CCCN2C(=O)CCN3C(=NNC3=S)C4=CC=CS4)OC

InChI

InChI=1S/C21H24N4O3S2/c1-27-14-7-8-15(17(13-14)28-2)16-5-3-10-24(16)19(26)9-11-25-20(22-23-21(25)29)18-6-4-12-30-18/h4,6-8,12-13,16H,3,5,9-11H2,1-2H3,(H,23,29)