2-[3-(3-methyl-4-morpholin-4-ylcarbonyl-phenyl)prop-2-ynylsulfanyl]benzenecarbonitrile

Systemtic Name: 2-[3-(3-methyl-4-morpholin-4-ylcarbonyl-phenyl)prop-2-ynylsulfanyl]benzenecarbonitrile Openeye Name: 2-[3-[3-methyl-4-(morpholine-4-carbonyl)phenyl]prop-2-ynylsulfanyl]benzonitrile CAS Name: 2-[3-[3-methyl-4-[4-morpholinyl(oxo)methyl]phenyl]prop-2-ynylthio]benzonitrile IUPAC Name: 2-[3-[3-methyl-4-(morpholine-4-carbonyl)phenyl]prop-2-ynylsulfanyl]benzonitrile Traditional Name: 2-[3-[3-methyl-4-(morpholine-4-carbonyl)phenyl]prop-2-ynylthio]benzonitrile Formula: C22H20N2O2S MolecularWeight: 376.4714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C#CCSC2=CC=CC=C2C#N)C(=O)N3CCOCC3

Isomeric SMILES

CC1=C(C=CC(=C1)C#CCSC2=CC=CC=C2C#N)C(=O)N3CCOCC3

InChI

InChI=1S/C22H20N2O2S/c1-17-15-18(5-4-14-27-21-7-3-2-6-19(21)16-23)8-9-20(17)22(25)24-10-12-26-13-11-24/h2-3,6-9,15H,10-14H2,1H3