6-(2-aminophenyl)-3-[(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-2H-1,2,4-triazin-5-one

Systemtic Name: 6-(2-aminophenyl)-3-[(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-2H-1,2,4-triazin-5-one Openeye Name: 6-(2-aminophenyl)-3-[(6,7-dimethyl-2-oxo-chromen-4-yl)methylsulfanyl]-2H-1,2,4-triazin-5-one CAS Name: 6-(2-aminophenyl)-3-[(6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methylthio]-2H-1,2,4-triazin-5-one IUPAC Name: 6-(2-aminophenyl)-3-[(6,7-dimethyl-2-oxochromen-4-yl)methylsulfanyl]-2H-1,2,4-triazin-5-one Traditional Name: 6-(2-aminophenyl)-3-[(2-keto-6,7-dimethyl-chromen-4-yl)methylthio]-2H-1,2,4-triazin-5-one Formula: C21H18N4O3S MolecularWeight: 406.45762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NC(=O)C(=NN3)C4=CC=CC=C4N)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NC(=O)C(=NN3)C4=CC=CC=C4N)C

InChI

InChI=1S/C21H18N4O3S/c1-11-7-15-13(9-18(26)28-17(15)8-12(11)2)10-29-21-23-20(27)19(24-25-21)14-5-3-4-6-16(14)22/h3-9H,10,22H2,1-2H3,(H,23,25,27)