2-(4-azanyl-3-methylsulfanyl-5-sulfanylidene-1,2,4-triazol-1-yl)-N-(1,3-benzothiazol-2-yl)ethanamide

Systemtic Name: 2-(4-azanyl-3-methylsulfanyl-5-sulfanylidene-1,2,4-triazol-1-yl)-N-(1,3-benzothiazol-2-yl)ethanamide Openeye Name: 2-(4-amino-3-methylsulfanyl-5-thioxo-1,2,4-triazol-1-yl)-N-(1,3-benzothiazol-2-yl)acetamide CAS Name: 2-[4-amino-3-(methylthio)-5-sulfanylidene-1,2,4-triazol-1-yl]-N-(1,3-benzothiazol-2-yl)acetamide IUPAC Name: 2-(4-amino-3-methylsulfanyl-5-sulfanylidene-1,2,4-triazol-1-yl)-N-(1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-[4-amino-3-(methylthio)-5-thioxo-1,2,4-triazol-1-yl]-N-(1,3-benzothiazol-2-yl)acetamide Formula: C12H12N6OS3 MolecularWeight: 352.45828

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN(C(=S)N1N)CC(=O)NC2=NC3=CC=CC=C3S2

Isomeric SMILES

CSC1=NN(C(=S)N1N)CC(=O)NC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C12H12N6OS3/c1-21-11-16-17(12(20)18(11)13)6-9(19)15-10-14-7-4-2-3-5-8(7)22-10/h2-5H,6,13H2,1H3,(H,14,15,19)