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

Systemtic Name: N-(1,3-benzothiazol-2-yl)-2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]butanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanyl-butanamide CAS Name: N-(1,3-benzothiazol-2-yl)-2-[(1-phenyl-5-tetrazolyl)thio]butanamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylbutanamide Traditional Name: N-(1,3-benzothiazol-2-yl)-2-[(1-phenyltetrazol-5-yl)thio]butyramide Formula: C18H16N6OS2 MolecularWeight: 396.48924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NC2=CC=CC=C2S1)SC3=NN=NN3C4=CC=CC=C4

Isomeric SMILES

CCC(C(=O)NC1=NC2=CC=CC=C2S1)SC3=NN=NN3C4=CC=CC=C4

InChI

InChI=1S/C18H16N6OS2/c1-2-14(16(25)20-17-19-13-10-6-7-11-15(13)26-17)27-18-21-22-23-24(18)12-8-4-3-5-9-12/h3-11,14H,2H2,1H3,(H,19,20,25)