6-(2-aminophenyl)-3-[2-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethyl]sulfanyl-2H-1,2,4-triazin-5-one

Systemtic Name: 6-(2-aminophenyl)-3-[2-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethyl]sulfanyl-2H-1,2,4-triazin-5-one Openeye Name: 3-[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxo-ethyl]sulfanyl-6-(2-aminophenyl)-2H-1,2,4-triazin-5-one CAS Name: 3-[[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]thio]-6-(2-aminophenyl)-2H-1,2,4-triazin-5-one IUPAC Name: 3-[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]sulfanyl-6-(2-aminophenyl)-2H-1,2,4-triazin-5-one Traditional Name: 3-[[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-ethyl]thio]-6-(2-aminophenyl)-2H-1,2,4-triazin-5-one Formula: C19H19N5O3S MolecularWeight: 397.45086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)CSC2=NC(=O)C(=NN2)C3=CC=CC=C3N

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)CSC2=NC(=O)C(=NN2)C3=CC=CC=C3N

InChI

InChI=1S/C19H19N5O3S/c1-9-15(11(3)25)10(2)21-16(9)14(26)8-28-19-22-18(27)17(23-24-19)12-6-4-5-7-13(12)20/h4-7,21H,8,20H2,1-3H3,(H,22,24,27)