5-[(4-methoxyphenyl)amino]-3-(pyrrolidin-1-ium-1-ylmethyl)-1,3,4-thiadiazole-2-thione

Systemtic Name: 5-[(4-methoxyphenyl)amino]-3-(pyrrolidin-1-ium-1-ylmethyl)-1,3,4-thiadiazole-2-thione Openeye Name: 5-(4-methoxyanilino)-3-(pyrrolidin-1-ium-1-ylmethyl)-1,3,4-thiadiazole-2-thione CAS Name: 5-(4-methoxyanilino)-3-(1-pyrrolidin-1-iumylmethyl)-1,3,4-thiadiazole-2-thione IUPAC Name: 5-(4-methoxyanilino)-3-(pyrrolidin-1-ium-1-ylmethyl)-1,3,4-thiadiazole-2-thione Traditional Name: 5-(p-anisidino)-3-(pyrrolidin-1-ium-1-ylmethyl)-1,3,4-thiadiazole-2-thione Formula: C14H19N4OS2+ MolecularWeight: 323.45686

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC2=NN(C(=S)S2)C[NH+]3CCCC3

Isomeric SMILES

COC1=CC=C(C=C1)NC2=NN(C(=S)S2)C[NH+]3CCCC3

InChI

InChI=1S/C14H18N4OS2/c1-19-12-6-4-11(5-7-12)15-13-16-18(14(20)21-13)10-17-8-2-3-9-17/h4-7H,2-3,8-10H2,1H3,(H,15,16)/p+1