3-azanyl-3-azanylidene-2-(pyridin-4-ylcarbonylamino)-2-sulfanyl-propanoic acid

Systemtic Name: 3-azanyl-3-azanylidene-2-(pyridin-4-ylcarbonylamino)-2-sulfanyl-propanoic acid Openeye Name: 3-amino-3-imino-2-(pyridine-4-carbonylamino)-2-sulfanyl-propanoic acid CAS Name: 3-amino-3-imino-2-mercapto-2-[[oxo(pyridin-4-yl)methyl]amino]propanoic acid IUPAC Name: 3-amino-3-imino-2-(pyridine-4-carbonylamino)-2-sulfanylpropanoic acid Traditional Name: 3-amino-3-imino-2-isonicotinamido-2-mercapto-propionic acid Formula: C9H10N4O3S MolecularWeight: 254.2657

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=CC=C1C(=O)NC(C(=N)N)(C(=O)O)S

Isomeric SMILES

C1=CN=CC=C1C(=O)NC(C(=N)N)(C(=O)O)S

InChI

InChI=1S/C9H10N4O3S/c10-7(11)9(17,8(15)16)13-6(14)5-1-3-12-4-2-5/h1-4,17H,(H3,10,11)(H,13,14)(H,15,16)