2-[4-[(1-cyclopropyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]phenyl]benzenecarbonitrile

Systemtic Name: 2-[4-[(1-cyclopropyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]phenyl]benzonitrile CAS Name: 2-[4-[[(1-cyclopropyl-5-tetrazolyl)thio]methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]phenyl]benzonitrile Traditional Name: 2-[4-[[(1-cyclopropyltetrazol-5-yl)thio]methyl]phenyl]benzonitrile Formula: C18H15N5S MolecularWeight: 333.4102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=N2)SCC3=CC=C(C=C3)C4=CC=CC=C4C#N

Isomeric SMILES

C1CC1N2C(=NN=N2)SCC3=CC=C(C=C3)C4=CC=CC=C4C#N

InChI

InChI=1S/C18H15N5S/c19-11-15-3-1-2-4-17(15)14-7-5-13(6-8-14)12-24-18-20-21-22-23(18)16-9-10-16/h1-8,16H,9-10,12H2