4-(1,3-benzothiazol-2-yl)-N-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)butanamide

Systemtic Name: 4-(1,3-benzothiazol-2-yl)-N-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)butanamide Openeye Name: 4-(1,3-benzothiazol-2-yl)-N-(5-thioxo-1H-1,2,4-triazol-4-yl)butanamide CAS Name: 4-(1,3-benzothiazol-2-yl)-N-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)butanamide IUPAC Name: 4-(1,3-benzothiazol-2-yl)-N-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)butanamide Traditional Name: 4-(1,3-benzothiazol-2-yl)-N-(5-thioxo-1H-1,2,4-triazol-4-yl)butyramide Formula: C13H13N5OS2 MolecularWeight: 319.40522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)CCCC(=O)NN3C=NNC3=S

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)CCCC(=O)NN3C=NNC3=S

InChI

InChI=1S/C13H13N5OS2/c19-11(17-18-8-14-16-13(18)20)6-3-7-12-15-9-4-1-2-5-10(9)21-12/h1-2,4-5,8H,3,6-7H2,(H,16,20)(H,17,19)