4-[5-(3-cyanopropylsulfanyl)-1,2,3,4-tetrazol-1-yl]benzamide

Systemtic Name: 4-[5-(3-cyanopropylsulfanyl)-1,2,3,4-tetrazol-1-yl]benzamide Openeye Name: 4-[5-(3-cyanopropylsulfanyl)tetrazol-1-yl]benzamide CAS Name: 4-[5-(3-cyanopropylthio)-1-tetrazolyl]benzamide IUPAC Name: 4-[5-(3-cyanopropylsulfanyl)tetrazol-1-yl]benzamide Traditional Name: 4-[5-(3-cyanopropylthio)tetrazol-1-yl]benzamide Formula: C12H12N6OS MolecularWeight: 288.32828

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)N)N2C(=NN=N2)SCCCC#N

Isomeric SMILES

C1=CC(=CC=C1C(=O)N)N2C(=NN=N2)SCCCC#N

InChI

InChI=1S/C12H12N6OS/c13-7-1-2-8-20-12-15-16-17-18(12)10-5-3-9(4-6-10)11(14)19/h3-6H,1-2,8H2,(H2,14,19)