5-[(4-butylphenyl)amino]-1,3,4-thiadiazole-2-thiolate

Systemtic Name: 5-[(4-butylphenyl)amino]-1,3,4-thiadiazole-2-thiolate Openeye Name: 5-(4-butylanilino)-1,3,4-thiadiazole-2-thiolate CAS Name: 5-(4-butylanilino)-1,3,4-thiadiazole-2-thiolate IUPAC Name: 5-(4-butylanilino)-1,3,4-thiadiazole-2-thiolate Traditional Name: 5-(4-butylanilino)-1,3,4-thiadiazole-2-thiolate Formula: C12H14N3S2- MolecularWeight: 264.38966

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=NN=C(S2)[S-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=NN=C(S2)[S-]

InChI

InChI=1S/C12H15N3S2/c1-2-3-4-9-5-7-10(8-6-9)13-11-14-15-12(16)17-11/h5-8H,2-4H2,1H3,(H,13,14)(H,15,16)/p-1