1-(2-phenylpyrrolidin-1-yl)-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propan-1-one

Systemtic Name: 1-(2-phenylpyrrolidin-1-yl)-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propan-1-one Openeye Name: 1-(2-phenylpyrrolidin-1-yl)-3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propan-1-one CAS Name: 1-(2-phenyl-1-pyrrolidinyl)-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)-1-propanone IUPAC Name: 1-(2-phenylpyrrolidin-1-yl)-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propan-1-one Traditional Name: 1-(2-phenylpyrrolidino)-3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propan-1-one Formula: C19H20N4OS2 MolecularWeight: 384.5183

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CCN2C(=NNC2=S)C3=CC=CS3)C4=CC=CC=C4

Isomeric SMILES

C1CC(N(C1)C(=O)CCN2C(=NNC2=S)C3=CC=CS3)C4=CC=CC=C4

InChI

InChI=1S/C19H20N4OS2/c24-17(22-11-4-8-15(22)14-6-2-1-3-7-14)10-12-23-18(20-21-19(23)25)16-9-5-13-26-16/h1-3,5-7,9,13,15H,4,8,10-12H2,(H,21,25)