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

Systemtic Name: 3-[[5-(3-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[[5-(m-tolyl)-4-propyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[[5-(3-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]thio]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[[5-(3-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[[5-(m-tolyl)-4-propyl-1,2,4-triazol-3-yl]thio]methyl]-1,2,3-benzotriazin-4-one Formula: C20H20N6OS MolecularWeight: 392.4774

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1SCN2C(=O)C3=CC=CC=C3N=N2)C4=CC(=CC=C4)C

Isomeric SMILES

CCCN1C(=NN=C1SCN2C(=O)C3=CC=CC=C3N=N2)C4=CC(=CC=C4)C

InChI

InChI=1S/C20H20N6OS/c1-3-11-25-18(15-8-6-7-14(2)12-15)22-23-20(25)28-13-26-19(27)16-9-4-5-10-17(16)21-24-26/h4-10,12H,3,11,13H2,1-2H3