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

Systemtic Name: 3-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-pyrrolidin-1-yl-propan-1-one Openeye Name: 3-[3-(4-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-1-pyrrolidin-1-yl-propan-1-one CAS Name: 3-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-(1-pyrrolidinyl)-1-propanone IUPAC Name: 3-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-pyrrolidin-1-ylpropan-1-one Traditional Name: 3-[3-(4-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-1-pyrrolidino-propan-1-one Formula: C16H20N4O2S MolecularWeight: 332.4206

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)N3CCCC3

Isomeric SMILES

COC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)N3CCCC3

InChI

InChI=1S/C16H20N4O2S/c1-22-13-6-4-12(5-7-13)15-17-18-16(23)20(15)11-8-14(21)19-9-2-3-10-19/h4-7H,2-3,8-11H2,1H3,(H,18,23)