2-[4-[[3-(2-methoxyphenyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperazin-1-yl]-N-propyl-ethanamide

Systemtic Name: 2-[4-[[3-(2-methoxyphenyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperazin-1-yl]-N-propyl-ethanamide Openeye Name: 2-[4-[[3-(2-methoxyphenyl)-4-methyl-5-thioxo-1,2,4-triazol-1-yl]methyl]piperazin-1-yl]-N-propyl-acetamide CAS Name: 2-[4-[[3-(2-methoxyphenyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-1-piperazinyl]-N-propylacetamide IUPAC Name: 2-[4-[[3-(2-methoxyphenyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperazin-1-yl]-N-propylacetamide Traditional Name: 2-[4-[[3-(2-methoxyphenyl)-4-methyl-5-thioxo-1,2,4-triazol-1-yl]methyl]piperazino]-N-propyl-acetamide Formula: C20H30N6O2S MolecularWeight: 418.5562

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CN1CCN(CC1)CN2C(=S)N(C(=N2)C3=CC=CC=C3OC)C

Isomeric SMILES

CCCNC(=O)CN1CCN(CC1)CN2C(=S)N(C(=N2)C3=CC=CC=C3OC)C

InChI

InChI=1S/C20H30N6O2S/c1-4-9-21-18(27)14-24-10-12-25(13-11-24)15-26-20(29)23(2)19(22-26)16-7-5-6-8-17(16)28-3/h5-8H,4,9-15H2,1-3H3,(H,21,27)