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

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

C1CCCC(CC1)N2C(=NN=C2SCCC#N)C3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

C1CCCC(CC1)N2C(=NN=C2SCCC#N)C3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C22H29N5O3S2/c23-11-6-16-31-22-25-24-21(27(22)19-8-3-1-2-4-9-19)18-7-5-10-20(17-18)32(28,29)26-12-14-30-15-13-26/h5,7,10,17,19H,1-4,6,8-9,12-16H2