2-(5-phenyl-1,2,3,4-tetrazol-1-yl)ethanoic acid; 1-(sulfinoamino)butane

Systemtic Name: 2-(5-phenyl-1,2,3,4-tetrazol-1-yl)ethanoic acid; 1-(sulfinoamino)butane Openeye Name: 2-(5-phenyltetrazol-1-yl)acetic acid; 1-(sulfinoamino)butane CAS Name: 2-(5-phenyl-1-tetrazolyl)acetic acid; 1-(sulfinoamino)butane IUPAC Name: 2-(5-phenyltetrazol-1-yl)acetic acid; 1-(sulfinoamino)butane Traditional Name: 2-(5-phenyltetrazol-1-yl)acetic acid; 1-(sulfinoamino)butane Formula: C13H19N5O4S MolecularWeight: 341.38606

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNS(=O)O.C1=CC=C(C=C1)C2=NN=NN2CC(=O)O

Isomeric SMILES

CCCCNS(=O)O.C1=CC=C(C=C1)C2=NN=NN2CC(=O)O

InChI

InChI=1S/C9H8N4O2.C4H11NO2S/c14-8(15)6-13-9(10-11-12-13)7-4-2-1-3-5-7;1-2-3-4-5-8(6)7/h1-5H,6H2,(H,14,15);5H,2-4H2,1H3,(H,6,7)