3-[(4-tert-butylphenyl)methylsulfanyl]-6-[(2,5-dimethylphenyl)amino]-4-prop-2-enyl-1,2,4-triazin-5-one

Systemtic Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-6-[(2,5-dimethylphenyl)amino]-4-prop-2-enyl-1,2,4-triazin-5-one Openeye Name: 4-allyl-3-[(4-tert-butylphenyl)methylsulfanyl]-6-(2,5-dimethylanilino)-1,2,4-triazin-5-one CAS Name: 3-[(4-tert-butylphenyl)methylthio]-6-(2,5-dimethylanilino)-4-prop-2-enyl-1,2,4-triazin-5-one IUPAC Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-6-(2,5-dimethylanilino)-4-prop-2-enyl-1,2,4-triazin-5-one Traditional Name: 4-allyl-3-[(4-tert-butylbenzyl)thio]-6-(2,5-dimethylanilino)-1,2,4-triazin-5-one Formula: C25H30N4OS MolecularWeight: 434.5969

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30N4OS/c1-7-14-29-23(30)22(26-21-15-17(2)8-9-18(21)3)27-28-24(29)31-16-19-10-12-20(13-11-19)25(4,5)6/h7-13,15H,1,14,16H2,2-6H3,(H,26,27)