4-[[5-(3-morpholin-4-ylsulfonylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]butanenitrile

Systemtic Name: 4-[[5-(3-morpholin-4-ylsulfonylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]butanenitrile Openeye Name: 4-[[4-allyl-5-(3-morpholinosulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]butanenitrile CAS Name: 4-[[5-[3-(4-morpholinylsulfonyl)phenyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]butanenitrile IUPAC Name: 4-[[5-(3-morpholin-4-ylsulfonylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]butanenitrile Traditional Name: 4-[[4-allyl-5-(3-morpholinosulfonylphenyl)-1,2,4-triazol-3-yl]thio]butyronitrile Formula: C19H23N5O3S2 MolecularWeight: 433.54762

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCCCC#N)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

C=CCN1C(=NN=C1SCCCC#N)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C19H23N5O3S2/c1-2-9-24-18(21-22-19(24)28-14-4-3-8-20)16-6-5-7-17(15-16)29(25,26)23-10-12-27-13-11-23/h2,5-7,15H,1,3-4,9-14H2