[2-azanyl-5-(2-dimethylaminoethylsulfanyl)-3-ethynyl-phenyl]carbamic acid

Systemtic Name: [2-azanyl-5-(2-dimethylaminoethylsulfanyl)-3-ethynyl-phenyl]carbamic acid Openeye Name: [2-amino-5-(2-dimethylaminoethylsulfanyl)-3-ethynyl-phenyl]carbamic acid CAS Name: [2-amino-5-(2-dimethylaminoethylthio)-3-ethynylphenyl]carbamic acid IUPAC Name: [2-amino-5-(2-dimethylaminoethylsulfanyl)-3-ethynylphenyl]carbamic acid Traditional Name: [2-amino-5-(2-dimethylaminoethylthio)-3-ethynyl-phenyl]carbamic acid Formula: C13H17N3O2S MolecularWeight: 279.35798

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCSC1=CC(=C(C(=C1)C#C)N)NC(=O)O

Isomeric SMILES

CN(C)CCSC1=CC(=C(C(=C1)C#C)N)NC(=O)O

InChI

InChI=1S/C13H17N3O2S/c1-4-9-7-10(19-6-5-16(2)3)8-11(12(9)14)15-13(17)18/h1,7-8,15H,5-6,14H2,2-3H3,(H,17,18)