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

Systemtic Name: 3-[(1-phenyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[(5-isopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[(1-phenyl-5-propan-2-yl-1,2,4-triazol-3-yl)thio]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[(1-phenyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[(5-isopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]methyl]-1,2,3-benzotriazin-4-one Formula: C19H18N6OS MolecularWeight: 378.45082

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=NN1C2=CC=CC=C2)SCN3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

CC(C)C1=NC(=NN1C2=CC=CC=C2)SCN3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C19H18N6OS/c1-13(2)17-20-19(22-25(17)14-8-4-3-5-9-14)27-12-24-18(26)15-10-6-7-11-16(15)21-23-24/h3-11,13H,12H2,1-2H3