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

Systemtic Name: 2-[[5-(2-methyl-5-morpholin-4-ylsulfonyl-phenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanenitrile Openeye Name: 2-[[5-(2-methyl-5-morpholinosulfonyl-phenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetonitrile CAS Name: 2-[[5-[2-methyl-5-(4-morpholinylsulfonyl)phenyl]-4-phenyl-1,2,4-triazol-3-yl]thio]acetonitrile IUPAC Name: 2-[[5-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetonitrile Traditional Name: 2-[[5-(2-methyl-5-morpholinosulfonyl-phenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetonitrile Formula: C21H21N5O3S2 MolecularWeight: 455.55314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N5O3S2/c1-16-7-8-18(31(27,28)25-10-12-29-13-11-25)15-19(16)20-23-24-21(30-14-9-22)26(20)17-5-3-2-4-6-17/h2-8,15H,10-14H2,1H3