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

Systemtic Name: 3-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]-1,2,3-benzotriazin-4-one Formula: C21H22N6O2S MolecularWeight: 422.50338

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=C1SCN2C(=O)C3=CC=CC=C3N=N2)C4=CC=C(C=C4)OC

Isomeric SMILES

CCCCN1C(=NN=C1SCN2C(=O)C3=CC=CC=C3N=N2)C4=CC=C(C=C4)OC

InChI

InChI=1S/C21H22N6O2S/c1-3-4-13-26-19(15-9-11-16(29-2)12-10-15)23-24-21(26)30-14-27-20(28)17-7-5-6-8-18(17)22-25-27/h5-12H,3-4,13-14H2,1-2H3