methyl 4-[[6-[(4-bromophenyl)amino]-5-oxidanylidene-4-prop-2-enyl-1,2,4-triazin-3-yl]sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[[6-[(4-bromophenyl)amino]-5-oxidanylidene-4-prop-2-enyl-1,2,4-triazin-3-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[4-allyl-6-(4-bromoanilino)-5-oxo-1,2,4-triazin-3-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[6-(4-bromoanilino)-5-oxo-4-prop-2-enyl-1,2,4-triazin-3-yl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[6-(4-bromoanilino)-5-oxo-4-prop-2-enyl-1,2,4-triazin-3-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[4-allyl-6-(4-bromoanilino)-5-keto-1,2,4-triazin-3-yl]thio]methyl]benzoic acid methyl ester Formula: C21H19BrN4O3S MolecularWeight: 487.36956

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19BrN4O3S/c1-3-12-26-19(27)18(23-17-10-8-16(22)9-11-17)24-25-21(26)30-13-14-4-6-15(7-5-14)20(28)29-2/h3-11H,1,12-13H2,2H3,(H,23,24)