4-[2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]benzenecarbonitrile

Systemtic Name: 4-[2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]benzenecarbonitrile Openeye Name: 4-[2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzonitrile CAS Name: 4-[2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]benzonitrile IUPAC Name: 4-[2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzonitrile Traditional Name: 4-[2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)thio]acetyl]benzonitrile Formula: C18H20N4OS MolecularWeight: 340.4426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2CCCCC2)SCC(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=NN=C(N1C2CCCCC2)SCC(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C18H20N4OS/c1-13-20-21-18(22(13)16-5-3-2-4-6-16)24-12-17(23)15-9-7-14(11-19)8-10-15/h7-10,16H,2-6,12H2,1H3