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

Systemtic Name: 3-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]-1,2,3-benzotriazin-4-one Formula: C13H12N6OS2 MolecularWeight: 332.40398

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=NN=C(S2)SCN3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

C1CC1NC2=NN=C(S2)SCN3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C13H12N6OS2/c20-11-9-3-1-2-4-10(9)15-18-19(11)7-21-13-17-16-12(22-13)14-8-5-6-8/h1-4,8H,5-7H2,(H,14,16)