3-[[5-(4-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one

Systemtic Name: 3-[[5-(4-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[[4-allyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[[5-(4-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[[5-(4-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[[4-allyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]-1,2,3-benzotriazin-4-one Formula: C20H18N6O2S MolecularWeight: 406.46092

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN=C(N2CC=C)SCN3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN=C(N2CC=C)SCN3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C20H18N6O2S/c1-3-12-25-18(14-8-10-15(28-2)11-9-14)22-23-20(25)29-13-26-19(27)16-6-4-5-7-17(16)21-24-26/h3-11H,1,12-13H2,2H3