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

Systemtic Name: 3-[5-(1,3-benzothiazol-2-ylmethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[5-(1,3-benzothiazol-2-ylmethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[5-(1,3-benzothiazol-2-ylmethylthio)-4-methyl-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[5-(1,3-benzothiazol-2-ylmethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[5-(1,3-benzothiazol-2-ylmethylthio)-4-methyl-1,2,4-triazol-3-yl]propionamide Formula: C14H15N5OS2 MolecularWeight: 333.4318

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=NC3=CC=CC=C3S2)CCC(=O)N

Isomeric SMILES

CN1C(=NN=C1SCC2=NC3=CC=CC=C3S2)CCC(=O)N

InChI

InChI=1S/C14H15N5OS2/c1-19-12(7-6-11(15)20)17-18-14(19)21-8-13-16-9-4-2-3-5-10(9)22-13/h2-5H,6-8H2,1H3,(H2,15,20)