3-[(4-aminophenyl)methylsulfanyl]-6-(3,4-dimethylphenyl)-2H-1,2,4-triazin-5-one

Systemtic Name: 3-[(4-aminophenyl)methylsulfanyl]-6-(3,4-dimethylphenyl)-2H-1,2,4-triazin-5-one Openeye Name: 3-[(4-aminophenyl)methylsulfanyl]-6-(3,4-dimethylphenyl)-2H-1,2,4-triazin-5-one CAS Name: 3-[(4-aminophenyl)methylthio]-6-(3,4-dimethylphenyl)-2H-1,2,4-triazin-5-one IUPAC Name: 3-[(4-aminophenyl)methylsulfanyl]-6-(3,4-dimethylphenyl)-2H-1,2,4-triazin-5-one Traditional Name: 3-[(4-aminobenzyl)thio]-6-(3,4-dimethylphenyl)-2H-1,2,4-triazin-5-one Formula: C18H18N4OS MolecularWeight: 338.42672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NNC(=NC2=O)SCC3=CC=C(C=C3)N)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NNC(=NC2=O)SCC3=CC=C(C=C3)N)C

InChI

InChI=1S/C18H18N4OS/c1-11-3-6-14(9-12(11)2)16-17(23)20-18(22-21-16)24-10-13-4-7-15(19)8-5-13/h3-9H,10,19H2,1-2H3,(H,20,22,23)