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

Systemtic Name: 2-[methyl-[[4-(phenylmethyl)-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]amino]-N-propyl-ethanamide Openeye Name: 2-[[4-benzyl-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-methyl-amino]-N-propyl-acetamide CAS Name: 2-[methyl-[[4-(phenylmethyl)-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]amino]-N-propylacetamide IUPAC Name: 2-[(4-benzyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-methylamino]-N-propylacetamide Traditional Name: 2-[[4-benzyl-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-methyl-amino]-N-propyl-acetamide Formula: C21H26N6OS MolecularWeight: 410.53574

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CN(C)CN1C(=S)N(C(=N1)C2=CC=NC=C2)CC3=CC=CC=C3

Isomeric SMILES

CCCNC(=O)CN(C)CN1C(=S)N(C(=N1)C2=CC=NC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C21H26N6OS/c1-3-11-23-19(28)15-25(2)16-27-21(29)26(14-17-7-5-4-6-8-17)20(24-27)18-9-12-22-13-10-18/h4-10,12-13H,3,11,14-16H2,1-2H3,(H,23,28)