2-[butyl-[4-(5-sulfanylidene-2H-1,2,3,4-tetrazol-1-yl)phenyl]amino]butanedioate

Systemtic Name: 2-[butyl-[4-(5-sulfanylidene-2H-1,2,3,4-tetrazol-1-yl)phenyl]amino]butanedioate Openeye Name: 2-[N-butyl-4-(5-thioxo-2H-tetrazol-1-yl)anilino]butanedioate CAS Name: 2-[N-butyl-4-(5-sulfanylidene-2H-tetrazol-1-yl)anilino]butanedioate IUPAC Name: 2-[N-butyl-4-(5-sulfanylidene-2H-tetrazol-1-yl)anilino]butanedioate Traditional Name: 2-[N-butyl-4-(5-thioxo-2H-tetrazol-1-yl)anilino]succinate Formula: C15H17N5O4S-2 MolecularWeight: 363.39158

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=CC=C(C=C1)N2C(=S)N=NN2)C(CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

CCCCN(C1=CC=C(C=C1)N2C(=S)N=NN2)C(CC(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C15H19N5O4S/c1-2-3-8-19(12(14(23)24)9-13(21)22)10-4-6-11(7-5-10)20-15(25)16-17-18-20/h4-7,12H,2-3,8-9H2,1H3,(H,21,22)(H,23,24)(H,16,18,25)/p-2