3-methylsulfanyl-2-(phenylsulfonyl)-3-(prop-2-ynylamino)prop-2-enenitrile

Systemtic Name: 3-methylsulfanyl-2-(phenylsulfonyl)-3-(prop-2-ynylamino)prop-2-enenitrile Openeye Name: 2-(benzenesulfonyl)-3-methylsulfanyl-3-(prop-2-ynylamino)prop-2-enenitrile CAS Name: 2-(benzenesulfonyl)-3-(methylthio)-3-(prop-2-ynylamino)-2-propenenitrile IUPAC Name: 2-(benzenesulfonyl)-3-methylsulfanyl-3-(prop-2-ynylamino)prop-2-enenitrile Traditional Name: 2-besyl-3-(methylthio)-3-(propargylamino)acrylonitrile Formula: C13H12N2O2S2 MolecularWeight: 292.37658

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=C(C#N)S(=O)(=O)C1=CC=CC=C1)NCC#C

Isomeric SMILES

CSC(=C(C#N)S(=O)(=O)C1=CC=CC=C1)NCC#C

InChI

InChI=1S/C13H12N2O2S2/c1-3-9-15-13(18-2)12(10-14)19(16,17)11-7-5-4-6-8-11/h1,4-8,15H,9H2,2H3