5-azanyl-2-methyl-5-oxidanylidene-3-[3-(5-sulfanidyl-1,2,3,4-tetrazol-1-yl)phenyl]pentanoate

Systemtic Name: 5-azanyl-2-methyl-5-oxidanylidene-3-[3-(5-sulfanidyl-1,2,3,4-tetrazol-1-yl)phenyl]pentanoate Openeye Name: 5-amino-2-methyl-5-oxo-3-[3-(5-sulfidotetrazol-1-yl)phenyl]pentanoate CAS Name: 5-amino-2-methyl-5-oxo-3-[3-(5-sulfido-1-tetrazolyl)phenyl]pentanoate IUPAC Name: 5-amino-2-methyl-5-oxo-3-[3-(5-sulfidotetrazol-1-yl)phenyl]pentanoate Traditional Name: 5-amino-5-keto-2-methyl-3-[3-(5-sulfidotetrazol-1-yl)phenyl]valerate Formula: C13H13N5O3S-2 MolecularWeight: 319.33902

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CC(=O)N)C1=CC(=CC=C1)N2C(=NN=N2)[S-])C(=O)[O-]

Isomeric SMILES

CC(C(CC(=O)N)C1=CC(=CC=C1)N2C(=NN=N2)[S-])C(=O)[O-]

InChI

InChI=1S/C13H15N5O3S/c1-7(12(20)21)10(6-11(14)19)8-3-2-4-9(5-8)18-13(22)15-16-17-18/h2-5,7,10H,6H2,1H3,(H2,14,19)(H,20,21)(H,15,17,22)/p-2