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

Systemtic Name: 2-[[3-(4-methoxyphenyl)-4-(2-methylpropyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methyl-amino]-N-propyl-ethanamide Openeye Name: 2-[[4-isobutyl-3-(4-methoxyphenyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-methyl-amino]-N-propyl-acetamide CAS Name: 2-[[3-(4-methoxyphenyl)-4-(2-methylpropyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methylamino]-N-propylacetamide IUPAC Name: 2-[[3-(4-methoxyphenyl)-4-(2-methylpropyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methylamino]-N-propylacetamide Traditional Name: 2-[[4-isobutyl-3-(4-methoxyphenyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-methyl-amino]-N-propyl-acetamide Formula: C20H31N5O2S MolecularWeight: 405.55744

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CN(C)CN1C(=S)N(C(=N1)C2=CC=C(C=C2)OC)CC(C)C

Isomeric SMILES

CCCNC(=O)CN(C)CN1C(=S)N(C(=N1)C2=CC=C(C=C2)OC)CC(C)C

InChI

InChI=1S/C20H31N5O2S/c1-6-11-21-18(26)13-23(4)14-25-20(28)24(12-15(2)3)19(22-25)16-7-9-17(27-5)10-8-16/h7-10,15H,6,11-14H2,1-5H3,(H,21,26)