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

Systemtic Name: 2-[methyl-[[3-methyl-4-(phenylmethyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]amino]-N-propyl-ethanamide Openeye Name: 2-[(4-benzyl-3-methyl-5-thioxo-1,2,4-triazol-1-yl)methyl-methyl-amino]-N-propyl-acetamide CAS Name: 2-[methyl-[[3-methyl-4-(phenylmethyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]amino]-N-propylacetamide IUPAC Name: 2-[(4-benzyl-3-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-methylamino]-N-propylacetamide Traditional Name: 2-[(4-benzyl-3-methyl-5-thioxo-1,2,4-triazol-1-yl)methyl-methyl-amino]-N-propyl-acetamide Formula: C17H25N5OS MolecularWeight: 347.4783

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CN(C)CN1C(=S)N(C(=N1)C)CC2=CC=CC=C2

Isomeric SMILES

CCCNC(=O)CN(C)CN1C(=S)N(C(=N1)C)CC2=CC=CC=C2

InChI

InChI=1S/C17H25N5OS/c1-4-10-18-16(23)12-20(3)13-22-17(24)21(14(2)19-22)11-15-8-6-5-7-9-15/h5-9H,4,10-13H2,1-3H3,(H,18,23)