N-[3-[5-(3-cyanopropylsulfanyl)-1,2,3,4-tetrazol-1-yl]phenyl]ethanamide

Systemtic Name: N-[3-[5-(3-cyanopropylsulfanyl)-1,2,3,4-tetrazol-1-yl]phenyl]ethanamide Openeye Name: N-[3-[5-(3-cyanopropylsulfanyl)tetrazol-1-yl]phenyl]acetamide CAS Name: N-[3-[5-(3-cyanopropylthio)-1-tetrazolyl]phenyl]acetamide IUPAC Name: N-[3-[5-(3-cyanopropylsulfanyl)tetrazol-1-yl]phenyl]acetamide Traditional Name: N-[3-[5-(3-cyanopropylthio)tetrazol-1-yl]phenyl]acetamide Formula: C13H14N6OS MolecularWeight: 302.35486

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)N2C(=NN=N2)SCCCC#N

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)N2C(=NN=N2)SCCCC#N

InChI

InChI=1S/C13H14N6OS/c1-10(20)15-11-5-4-6-12(9-11)19-13(16-17-18-19)21-8-3-2-7-14/h4-6,9H,2-3,8H2,1H3,(H,15,20)