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2-[5-[bis(azanyl)methylideneamino]-2-chloranyl-phenyl]-3-sulfanyl-propanoic acid

2-[5-[bis(azanyl)methylideneamino]-2-chloranyl-phenyl]-3-sulfanyl-propanoic acid

Systemtic Name:2-[5-[bis(azanyl)methylideneamino]-2-chloranyl-phenyl]-3-sulfanyl-propanoic acid
Openeye Name:2-(2-chloro-5-guanidino-phenyl)-3-sulfanyl-propanoic acid
CAS Name:2-[2-chloro-5-(diaminomethylideneamino)phenyl]-3-mercaptopropanoic acid
IUPAC Name:2-[2-chloro-5-(diaminomethylideneamino)phenyl]-3-sulfanylpropanoic acid
Traditional Name:2-(2-chloro-5-guanidino-phenyl)-3-mercapto-propionic acid
Formula: C10H12ClN3O2S
MolecularWeight: 273.73918
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N=C(N)N)C(CS)C(=O)O)Cl


Isomeric SMILES

C1=CC(=C(C=C1N=C(N)N)C(CS)C(=O)O)Cl


InChI

InChI=1S/C10H12ClN3O2S/c11-8-2-1-5(14-10(12)13)3-6(8)7(4-17)9(15)16/h1-3,7,17H,4H2,(H,15,16)(H4,12,13,14)


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