3-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one

Systemtic Name: 3-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]-1,2,3-benzotriazin-4-one Formula: C14H16N6OS2 MolecularWeight: 348.44644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC1=NN=C(S1)SCN2C(=O)C3=CC=CC=C3N=N2

Isomeric SMILES

CC(C)(C)NC1=NN=C(S1)SCN2C(=O)C3=CC=CC=C3N=N2

InChI

InChI=1S/C14H16N6OS2/c1-14(2,3)15-12-17-18-13(23-12)22-8-20-11(21)9-6-4-5-7-10(9)16-19-20/h4-7H,8H2,1-3H3,(H,15,17)