4-[bis(azanyl)phosphoryl-hex-4-ynyl-amino]-2-sulfanyl-phenol

Systemtic Name: 4-[bis(azanyl)phosphoryl-hex-4-ynyl-amino]-2-sulfanyl-phenol Openeye Name: 4-[diaminophosphoryl(hex-4-ynyl)amino]-2-sulfanyl-phenol CAS Name: 4-[diaminophosphoryl(hex-4-ynyl)amino]-2-mercaptophenol IUPAC Name: 4-[diaminophosphoryl(hex-4-ynyl)amino]-2-sulfanylphenol Traditional Name: 4-[diaminophosphoryl(hex-4-ynyl)amino]-2-mercapto-phenol Formula: C12H18N3O2PS MolecularWeight: 299.328981

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCCCN(C1=CC(=C(C=C1)O)S)P(=O)(N)N

Isomeric SMILES

CC#CCCCN(C1=CC(=C(C=C1)O)S)P(=O)(N)N

InChI

InChI=1S/C12H18N3O2PS/c1-2-3-4-5-8-15(18(13,14)17)10-6-7-11(16)12(19)9-10/h6-7,9,16,19H,4-5,8H2,1H3,(H4,13,14,17)