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

Systemtic Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-6-[(4-methylphenyl)amino]-4-prop-2-enyl-1,2,4-triazin-5-one Openeye Name: 4-allyl-3-[(4-tert-butylphenyl)methylsulfanyl]-6-(4-methylanilino)-1,2,4-triazin-5-one CAS Name: 3-[(4-tert-butylphenyl)methylthio]-6-(4-methylanilino)-4-prop-2-enyl-1,2,4-triazin-5-one IUPAC Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-6-(4-methylanilino)-4-prop-2-enyl-1,2,4-triazin-5-one Traditional Name: 4-allyl-3-[(4-tert-butylbenzyl)thio]-6-(p-toluidino)-1,2,4-triazin-5-one Formula: C24H28N4OS MolecularWeight: 420.57032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28N4OS/c1-6-15-28-22(29)21(25-20-13-7-17(2)8-14-20)26-27-23(28)30-16-18-9-11-19(12-10-18)24(3,4)5/h6-14H,1,15-16H2,2-5H3,(H,25,26)