3-[5-(1,3-benzothiazol-2-ylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]propanamide

Systemtic Name: 3-[5-(1,3-benzothiazol-2-ylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[5-(1,3-benzothiazol-2-ylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[5-(1,3-benzothiazol-2-ylthio)-4-methyl-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[5-(1,3-benzothiazol-2-ylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[5-(1,3-benzothiazol-2-ylthio)-4-methyl-1,2,4-triazol-3-yl]propionamide Formula: C13H13N5OS2 MolecularWeight: 319.40522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SC2=NC3=CC=CC=C3S2)CCC(=O)N

Isomeric SMILES

CN1C(=NN=C1SC2=NC3=CC=CC=C3S2)CCC(=O)N

InChI

InChI=1S/C13H13N5OS2/c1-18-11(7-6-10(14)19)16-17-12(18)21-13-15-8-4-2-3-5-9(8)20-13/h2-5H,6-7H2,1H3,(H2,14,19)