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

Systemtic Name: 3-[[4-cyclopentyl-5-(3-morpholin-4-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Openeye Name: 3-[[4-cyclopentyl-5-(3-morpholinosulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile CAS Name: 3-[[4-cyclopentyl-5-[3-(4-morpholinylsulfonyl)phenyl]-1,2,4-triazol-3-yl]thio]propanenitrile IUPAC Name: 3-[[4-cyclopentyl-5-(3-morpholin-4-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Traditional Name: 3-[[4-cyclopentyl-5-(3-morpholinosulfonylphenyl)-1,2,4-triazol-3-yl]thio]propionitrile Formula: C20H25N5O3S2 MolecularWeight: 447.5742

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C(=NN=C2SCCC#N)C3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

C1CCC(C1)N2C(=NN=C2SCCC#N)C3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C20H25N5O3S2/c21-9-4-14-29-20-23-22-19(25(20)17-6-1-2-7-17)16-5-3-8-18(15-16)30(26,27)24-10-12-28-13-11-24/h3,5,8,15,17H,1-2,4,6-7,10-14H2