N-[3-[5-(1-cyanoethylsulfanyl)-1,2,3,4-tetrazol-1-yl]phenyl]propanethioamide

Systemtic Name: N-[3-[5-(1-cyanoethylsulfanyl)-1,2,3,4-tetrazol-1-yl]phenyl]propanethioamide Openeye Name: N-[3-[5-(1-cyanoethylsulfanyl)tetrazol-1-yl]phenyl]propanethioamide CAS Name: N-[3-[5-(1-cyanoethylthio)-1-tetrazolyl]phenyl]propanethioamide IUPAC Name: N-[3-[5-(1-cyanoethylsulfanyl)tetrazol-1-yl]phenyl]propanethioamide Traditional Name: N-[3-[5-(1-cyanoethylthio)tetrazol-1-yl]phenyl]thiopropionamide Formula: C13H14N6S2 MolecularWeight: 318.42046

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=S)NC1=CC=CC(=C1)N2C(=NN=N2)SC(C)C#N

Isomeric SMILES

CCC(=S)NC1=CC=CC(=C1)N2C(=NN=N2)SC(C)C#N

InChI

InChI=1S/C13H14N6S2/c1-3-12(20)15-10-5-4-6-11(7-10)19-13(16-17-18-19)21-9(2)8-14/h4-7,9H,3H2,1-2H3,(H,15,20)