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

Systemtic Name: 5-[(4-methylphenyl)amino]-3-(morpholin-4-ium-4-ylmethyl)-1,3,4-thiadiazole-2-thione Openeye Name: 5-(4-methylanilino)-3-(morpholin-4-ium-4-ylmethyl)-1,3,4-thiadiazole-2-thione CAS Name: 5-(4-methylanilino)-3-(4-morpholin-4-iumylmethyl)-1,3,4-thiadiazole-2-thione IUPAC Name: 5-(4-methylanilino)-3-(morpholin-4-ium-4-ylmethyl)-1,3,4-thiadiazole-2-thione Traditional Name: 3-(morpholin-4-ium-4-ylmethyl)-5-(p-toluidino)-1,3,4-thiadiazole-2-thione Formula: C14H19N4OS2+ MolecularWeight: 323.45686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NN(C(=S)S2)C[NH+]3CCOCC3

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NN(C(=S)S2)C[NH+]3CCOCC3

InChI

InChI=1S/C14H18N4OS2/c1-11-2-4-12(5-3-11)15-13-16-18(14(20)21-13)10-17-6-8-19-9-7-17/h2-5H,6-10H2,1H3,(H,15,16)/p+1