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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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