2-[[4-cycloheptyl-5-(3-morpholin-4-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile

Systemtic Name: 2-[[4-cycloheptyl-5-(3-morpholin-4-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Openeye Name: 2-[[4-cycloheptyl-5-(3-morpholinosulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile CAS Name: 2-[[4-cycloheptyl-5-[3-(4-morpholinylsulfonyl)phenyl]-1,2,4-triazol-3-yl]thio]propanenitrile IUPAC Name: 2-[[4-cycloheptyl-5-(3-morpholin-4-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Traditional Name: 2-[[4-cycloheptyl-5-(3-morpholinosulfonylphenyl)-1,2,4-triazol-3-yl]thio]propionitrile Formula: C22H29N5O3S2 MolecularWeight: 475.62736

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)SC1=NN=C(N1C2CCCCCC2)C3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CC(C#N)SC1=NN=C(N1C2CCCCCC2)C3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C22H29N5O3S2/c1-17(16-23)31-22-25-24-21(27(22)19-8-4-2-3-5-9-19)18-7-6-10-20(15-18)32(28,29)26-11-13-30-14-12-26/h6-7,10,15,17,19H,2-5,8-9,11-14H2,1H3