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

Systemtic Name: 2-[[5-(3-morpholin-4-ylsulfonylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-3-phenyl-propanenitrile Openeye Name: 2-[[4-allyl-5-(3-morpholinosulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-3-phenyl-propanenitrile CAS Name: 2-[[5-[3-(4-morpholinylsulfonyl)phenyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-3-phenylpropanenitrile IUPAC Name: 2-[[5-(3-morpholin-4-ylsulfonylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-3-phenylpropanenitrile Traditional Name: 2-[[4-allyl-5-(3-morpholinosulfonylphenyl)-1,2,4-triazol-3-yl]thio]-3-phenyl-propionitrile Formula: C24H25N5O3S2 MolecularWeight: 495.617

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SC(CC2=CC=CC=C2)C#N)C3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

C=CCN1C(=NN=C1SC(CC2=CC=CC=C2)C#N)C3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C24H25N5O3S2/c1-2-11-29-23(26-27-24(29)33-21(18-25)16-19-7-4-3-5-8-19)20-9-6-10-22(17-20)34(30,31)28-12-14-32-15-13-28/h2-10,17,21H,1,11-16H2