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

Systemtic Name: 2-[[3-cyclopropyl-4-(phenylmethyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methyl-amino]-N-propyl-ethanamide Openeye Name: 2-[(4-benzyl-3-cyclopropyl-5-thioxo-1,2,4-triazol-1-yl)methyl-methyl-amino]-N-propyl-acetamide CAS Name: 2-[[3-cyclopropyl-4-(phenylmethyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methylamino]-N-propylacetamide IUPAC Name: 2-[(4-benzyl-3-cyclopropyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-methylamino]-N-propylacetamide Traditional Name: 2-[(4-benzyl-3-cyclopropyl-5-thioxo-1,2,4-triazol-1-yl)methyl-methyl-amino]-N-propyl-acetamide Formula: C19H27N5OS MolecularWeight: 373.51558

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CN(C)CN1C(=S)N(C(=N1)C2CC2)CC3=CC=CC=C3

Isomeric SMILES

CCCNC(=O)CN(C)CN1C(=S)N(C(=N1)C2CC2)CC3=CC=CC=C3

InChI

InChI=1S/C19H27N5OS/c1-3-11-20-17(25)13-22(2)14-24-19(26)23(18(21-24)16-9-10-16)12-15-7-5-4-6-8-15/h4-8,16H,3,9-14H2,1-2H3,(H,20,25)