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

Systemtic Name: 3-[[4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[[4-benzyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[[4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[(4-benzyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[[4-benzyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]methyl]-1,2,3-benzotriazin-4-one Formula: C21H16N6OS2 MolecularWeight: 432.52134

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NN=C2SCN3C(=O)C4=CC=CC=C4N=N3)C5=CC=CS5

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NN=C2SCN3C(=O)C4=CC=CC=C4N=N3)C5=CC=CS5

InChI

InChI=1S/C21H16N6OS2/c28-20-16-9-4-5-10-17(16)22-25-27(20)14-30-21-24-23-19(18-11-6-12-29-18)26(21)13-15-7-2-1-3-8-15/h1-12H,13-14H2