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

Systemtic Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-6-[(3-methoxyphenyl)amino]-4-prop-2-enyl-1,2,4-triazin-5-one Openeye Name: 4-allyl-3-[(4-tert-butylphenyl)methylsulfanyl]-6-(3-methoxyanilino)-1,2,4-triazin-5-one CAS Name: 3-[(4-tert-butylphenyl)methylthio]-6-(3-methoxyanilino)-4-prop-2-enyl-1,2,4-triazin-5-one IUPAC Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-6-(3-methoxyanilino)-4-prop-2-enyl-1,2,4-triazin-5-one Traditional Name: 4-allyl-3-[(4-tert-butylbenzyl)thio]-6-(m-anisidino)-1,2,4-triazin-5-one Formula: C24H28N4O2S MolecularWeight: 436.56972

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CSC2=NN=C(C(=O)N2CC=C)NC3=CC(=CC=C3)OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CSC2=NN=C(C(=O)N2CC=C)NC3=CC(=CC=C3)OC

InChI

InChI=1S/C24H28N4O2S/c1-6-14-28-22(29)21(25-19-8-7-9-20(15-19)30-5)26-27-23(28)31-16-17-10-12-18(13-11-17)24(2,3)4/h6-13,15H,1,14,16H2,2-5H3,(H,25,26)