(2R)-2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-3-phenyl-propanenitrile

Systemtic Name: (2R)-2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-3-phenyl-propanenitrile Openeye Name: (2R)-2-[(4-allyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-3-phenyl-propanenitrile CAS Name: (2R)-2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]-3-phenylpropanenitrile IUPAC Name: (2R)-2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-3-phenylpropanenitrile Traditional Name: (2R)-2-[(4-allyl-5-cyclohexyl-1,2,4-triazol-3-yl)thio]-3-phenyl-propionitrile Formula: C20H24N4S MolecularWeight: 352.49636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SC(CC2=CC=CC=C2)C#N)C3CCCCC3

Isomeric SMILES

C=CCN1C(=NN=C1S[C@H](CC2=CC=CC=C2)C#N)C3CCCCC3

InChI

InChI=1S/C20H24N4S/c1-2-13-24-19(17-11-7-4-8-12-17)22-23-20(24)25-18(15-21)14-16-9-5-3-6-10-16/h2-3,5-6,9-10,17-18H,1,4,7-8,11-14H2/t18-/m1/s1