2-azanyl-N-(cyanomethyl)-3-(phenylmethylsulfanyl)propanamide; 4-methylbenzenesulfonic acid

Systemtic Name: 2-azanyl-N-(cyanomethyl)-3-(phenylmethylsulfanyl)propanamide; 4-methylbenzenesulfonic acid Openeye Name: 2-amino-3-benzylsulfanyl-N-(cyanomethyl)propanamide; 4-methylbenzenesulfonic acid CAS Name: 2-amino-N-(cyanomethyl)-3-(phenylmethylthio)propanamide; 4-methylbenzenesulfonic acid IUPAC Name: 2-amino-3-benzylsulfanyl-N-(cyanomethyl)propanamide; 4-methylbenzenesulfonic acid Traditional Name: 2-amino-3-(benzylthio)-N-(cyanomethyl)propionamide; tosylic acid Formula: C19H23N3O4S2 MolecularWeight: 421.53362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C=C1)CSCC(C(=O)NCC#N)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C=C1)CSCC(C(=O)NCC#N)N

InChI

InChI=1S/C12H15N3OS.C7H8O3S/c13-6-7-15-12(16)11(14)9-17-8-10-4-2-1-3-5-10;1-6-2-4-7(5-3-6)11(8,9)10/h1-5,11H,7-9,14H2,(H,15,16);2-5H,1H3,(H,8,9,10)