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

Systemtic Name: 3-[[5-(2-methylprop-2-enylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[[5-(2-methylallylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[[5-(2-methylprop-2-enylthio)-1,3,4-thiadiazol-2-yl]thio]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[[5-(2-methylprop-2-enylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[[5-(2-methylallylthio)-1,3,4-thiadiazol-2-yl]thio]methyl]-1,2,3-benzotriazin-4-one Formula: C14H13N5OS3 MolecularWeight: 363.48092

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CSC1=NN=C(S1)SCN2C(=O)C3=CC=CC=C3N=N2

Isomeric SMILES

CC(=C)CSC1=NN=C(S1)SCN2C(=O)C3=CC=CC=C3N=N2

InChI

InChI=1S/C14H13N5OS3/c1-9(2)7-21-13-16-17-14(23-13)22-8-19-12(20)10-5-3-4-6-11(10)15-18-19/h3-6H,1,7-8H2,2H3