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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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