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

Systemtic Name: 3-[[4-(4-methylphenyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[[5-(1-piperidyl)-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[[4-(4-methylphenyl)-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[[4-(4-methylphenyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[[5-piperidino-4-(p-tolyl)-1,2,4-triazol-3-yl]thio]methyl]-1,2,3-benzotriazin-4-one Formula: C22H23N7OS MolecularWeight: 433.52932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCN3C(=O)C4=CC=CC=C4N=N3)N5CCCCC5

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCN3C(=O)C4=CC=CC=C4N=N3)N5CCCCC5

InChI

InChI=1S/C22H23N7OS/c1-16-9-11-17(12-10-16)29-21(27-13-5-2-6-14-27)24-25-22(29)31-15-28-20(30)18-7-3-4-8-19(18)23-26-28/h3-4,7-12H,2,5-6,13-15H2,1H3