3-methyl-2-(morpholin-4-ylamino)-4-(phenylmethylsulfanyl)butanenitrile

Systemtic Name: 3-methyl-2-(morpholin-4-ylamino)-4-(phenylmethylsulfanyl)butanenitrile Openeye Name: 4-benzylsulfanyl-3-methyl-2-(morpholinoamino)butanenitrile CAS Name: 3-methyl-2-(4-morpholinylamino)-4-(phenylmethylthio)butanenitrile IUPAC Name: 4-benzylsulfanyl-3-methyl-2-(morpholin-4-ylamino)butanenitrile Traditional Name: 4-(benzylthio)-3-methyl-2-(morpholinoamino)butyronitrile Formula: C16H23N3OS MolecularWeight: 305.43832

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSCC1=CC=CC=C1)C(C#N)NN2CCOCC2

Isomeric SMILES

CC(CSCC1=CC=CC=C1)C(C#N)NN2CCOCC2

InChI

InChI=1S/C16H23N3OS/c1-14(12-21-13-15-5-3-2-4-6-15)16(11-17)18-19-7-9-20-10-8-19/h2-6,14,16,18H,7-10,12-13H2,1H3