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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=NN=C(S1)SCN2C(=O)C3=CC=CC=C3N=N2

Isomeric SMILES

C=CCNC1=NN=C(S1)SCN2C(=O)C3=CC=CC=C3N=N2

InChI

InChI=1S/C13H12N6OS2/c1-2-7-14-12-16-17-13(22-12)21-8-19-11(20)9-5-3-4-6-10(9)15-18-19/h2-6H,1,7-8H2,(H,14,16)