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

Systemtic Name: 3-[[4-(3,4-dichlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[[4-(3,4-dichlorophenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[[4-(3,4-dichlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[[4-(3,4-dichlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[[4-(3,4-dichlorophenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]-1,2,3-benzotriazin-4-one Formula: C21H13Cl2N7OS MolecularWeight: 482.34522

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(N=N2)CSC3=NN=C(N3C4=CC(=C(C=C4)Cl)Cl)C5=CC=NC=C5

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(N=N2)CSC3=NN=C(N3C4=CC(=C(C=C4)Cl)Cl)C5=CC=NC=C5

InChI

InChI=1S/C21H13Cl2N7OS/c22-16-6-5-14(11-17(16)23)30-19(13-7-9-24-10-8-13)26-27-21(30)32-12-29-20(31)15-3-1-2-4-18(15)25-28-29/h1-11H,12H2