1-[[4-(4-methoxyphenyl)-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-N,N-dimethyl-pyrrolidine-2-carboxamide

Systemtic Name: 1-[[4-(4-methoxyphenyl)-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-N,N-dimethyl-pyrrolidine-2-carboxamide Openeye Name: 1-[[4-(4-methoxyphenyl)-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]-N,N-dimethyl-pyrrolidine-2-carboxamide CAS Name: 1-[[4-(4-methoxyphenyl)-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-N,N-dimethyl-2-pyrrolidinecarboxamide IUPAC Name: 1-[[4-(4-methoxyphenyl)-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-N,N-dimethylpyrrolidine-2-carboxamide Traditional Name: 1-[[4-(4-methoxyphenyl)-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]-N,N-dimethyl-pyrrolidine-2-carboxamide Formula: C22H26N6O2S MolecularWeight: 438.54584

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1CCCN1CN2C(=S)N(C(=N2)C3=CC=NC=C3)C4=CC=C(C=C4)OC

Isomeric SMILES

CN(C)C(=O)C1CCCN1CN2C(=S)N(C(=N2)C3=CC=NC=C3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C22H26N6O2S/c1-25(2)21(29)19-5-4-14-26(19)15-27-22(31)28(17-6-8-18(30-3)9-7-17)20(24-27)16-10-12-23-13-11-16/h6-13,19H,4-5,14-15H2,1-3H3