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

Systemtic Name: N-(4-cyanophenyl)-3-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]propanamide Openeye Name: N-(4-cyanophenyl)-3-(1-methyltetrazol-5-yl)sulfanyl-propanamide CAS Name: N-(4-cyanophenyl)-3-[(1-methyl-5-tetrazolyl)thio]propanamide IUPAC Name: N-(4-cyanophenyl)-3-(1-methyltetrazol-5-yl)sulfanylpropanamide Traditional Name: N-(4-cyanophenyl)-3-[(1-methyltetrazol-5-yl)thio]propionamide Formula: C12H12N6OS MolecularWeight: 288.32828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SCCC(=O)NC2=CC=C(C=C2)C#N

Isomeric SMILES

CN1C(=NN=N1)SCCC(=O)NC2=CC=C(C=C2)C#N

InChI

InChI=1S/C12H12N6OS/c1-18-12(15-16-17-18)20-7-6-11(19)14-10-4-2-9(8-13)3-5-10/h2-5H,6-7H2,1H3,(H,14,19)