3-(furan-2-ylmethylamino)propanenitrile; 1-methyl-4-methylsulfonyl-benzene

Systemtic Name: 3-(furan-2-ylmethylamino)propanenitrile; 1-methyl-4-methylsulfonyl-benzene Openeye Name: 3-(2-furylmethylamino)propanenitrile; 1-methyl-4-methylsulfonyl-benzene CAS Name: 3-(2-furanylmethylamino)propanenitrile; 1-methyl-4-methylsulfonylbenzene IUPAC Name: 3-(furan-2-ylmethylamino)propanenitrile; 1-methyl-4-methylsulfonylbenzene Traditional Name: 3-(2-furfurylamino)propionitrile; 1-mesyl-4-methyl-benzene Formula: C16H20N2O3S MolecularWeight: 320.4066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C.C1=COC(=C1)CNCCC#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C.C1=COC(=C1)CNCCC#N

InChI

InChI=1S/C8H10N2O.C8H10O2S/c9-4-2-5-10-7-8-3-1-6-11-8;1-7-3-5-8(6-4-7)11(2,9)10/h1,3,6,10H,2,5,7H2;3-6H,1-2H3