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

Systemtic Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-6-[(3-chloranyl-2-methyl-phenyl)amino]-4-prop-2-enyl-1,2,4-triazin-5-one Openeye Name: 4-allyl-3-[(4-tert-butylphenyl)methylsulfanyl]-6-(3-chloro-2-methyl-anilino)-1,2,4-triazin-5-one CAS Name: 3-[(4-tert-butylphenyl)methylthio]-6-(3-chloro-2-methylanilino)-4-prop-2-enyl-1,2,4-triazin-5-one IUPAC Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-6-(3-chloro-2-methylanilino)-4-prop-2-enyl-1,2,4-triazin-5-one Traditional Name: 4-allyl-3-[(4-tert-butylbenzyl)thio]-6-(3-chloro-2-methyl-anilino)-1,2,4-triazin-5-one Formula: C24H27ClN4OS MolecularWeight: 455.01538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC2=NN=C(N(C2=O)CC=C)SCC3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC2=NN=C(N(C2=O)CC=C)SCC3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C24H27ClN4OS/c1-6-14-29-22(30)21(26-20-9-7-8-19(25)16(20)2)27-28-23(29)31-15-17-10-12-18(13-11-17)24(3,4)5/h6-13H,1,14-15H2,2-5H3,(H,26,27)