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

Systemtic Name: 3-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[[4-phenyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[[4-phenyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]methyl]-1,2,3-benzotriazin-4-one Formula: C20H14N6OS2 MolecularWeight: 418.49476

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCN3C(=O)C4=CC=CC=C4N=N3)C5=CC=CS5

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCN3C(=O)C4=CC=CC=C4N=N3)C5=CC=CS5

InChI

InChI=1S/C20H14N6OS2/c27-19-15-9-4-5-10-16(15)21-24-25(19)13-29-20-23-22-18(17-11-6-12-28-17)26(20)14-7-2-1-3-8-14/h1-12H,13H2