N-(1,3-benzothiazol-2-yl)-3-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]propanamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-3-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]propanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-3-(1-methyltetrazol-5-yl)sulfanyl-propanamide CAS Name: N-(1,3-benzothiazol-2-yl)-3-[(1-methyl-5-tetrazolyl)thio]propanamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-3-(1-methyltetrazol-5-yl)sulfanylpropanamide Traditional Name: N-(1,3-benzothiazol-2-yl)-3-[(1-methyltetrazol-5-yl)thio]propionamide Formula: C12H12N6OS2 MolecularWeight: 320.39328

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SCCC(=O)NC2=NC3=CC=CC=C3S2

Isomeric SMILES

CN1C(=NN=N1)SCCC(=O)NC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C12H12N6OS2/c1-18-12(15-16-17-18)20-7-6-10(19)14-11-13-8-4-2-3-5-9(8)21-11/h2-5H,6-7H2,1H3,(H,13,14,19)