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

Systemtic Name: 3-phenyl-3-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]propanenitrile Openeye Name: 3-phenyl-3-(1-phenyltetrazol-5-yl)sulfanyl-propanenitrile CAS Name: 3-phenyl-3-[(1-phenyl-5-tetrazolyl)thio]propanenitrile IUPAC Name: 3-phenyl-3-(1-phenyltetrazol-5-yl)sulfanylpropanenitrile Traditional Name: 3-phenyl-3-[(1-phenyltetrazol-5-yl)thio]propionitrile Formula: C16H13N5S MolecularWeight: 307.37292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC#N)SC2=NN=NN2C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C(CC#N)SC2=NN=NN2C3=CC=CC=C3

InChI

InChI=1S/C16H13N5S/c17-12-11-15(13-7-3-1-4-8-13)22-16-18-19-20-21(16)14-9-5-2-6-10-14/h1-10,15H,11H2