3-[[5-(2-methyl-5-morpholin-4-ylsulfonyl-phenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanenitrile

Systemtic Name: 3-[[5-(2-methyl-5-morpholin-4-ylsulfonyl-phenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Openeye Name: 3-[[5-(2-methyl-5-morpholinosulfonyl-phenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanenitrile CAS Name: 3-[[5-[2-methyl-5-(4-morpholinylsulfonyl)phenyl]-4-phenyl-1,2,4-triazol-3-yl]thio]propanenitrile IUPAC Name: 3-[[5-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Traditional Name: 3-[[5-(2-methyl-5-morpholinosulfonyl-phenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]propionitrile Formula: C22H23N5O3S2 MolecularWeight: 469.57972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C3=NN=C(N3C4=CC=CC=C4)SCCC#N

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C3=NN=C(N3C4=CC=CC=C4)SCCC#N

InChI

InChI=1S/C22H23N5O3S2/c1-17-8-9-19(32(28,29)26-11-13-30-14-12-26)16-20(17)21-24-25-22(31-15-5-10-23)27(21)18-6-3-2-4-7-18/h2-4,6-9,16H,5,11-15H2,1H3