3-[5-(3-chlorophenyl)-1,2,3,4-tetrazol-2-yl]propanenitrile

Systemtic Name: 3-[5-(3-chlorophenyl)-1,2,3,4-tetrazol-2-yl]propanenitrile Openeye Name: 3-[5-(3-chlorophenyl)tetrazol-2-yl]propanenitrile CAS Name: 3-[5-(3-chlorophenyl)-2-tetrazolyl]propanenitrile IUPAC Name: 3-[5-(3-chlorophenyl)tetrazol-2-yl]propanenitrile Traditional Name: 3-[5-(3-chlorophenyl)tetrazol-2-yl]propionitrile Formula: C10H8ClN5 MolecularWeight: 233.65702

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)C2=NN(N=N2)CCC#N

Isomeric SMILES

C1=CC(=CC(=C1)Cl)C2=NN(N=N2)CCC#N

InChI

InChI=1S/C10H8ClN5/c11-9-4-1-3-8(7-9)10-13-15-16(14-10)6-2-5-12/h1,3-4,7H,2,6H2