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

Systemtic Name: 5-[(4-propan-2-ylphenyl)amino]-3-(pyrrolidin-1-ium-1-ylmethyl)-1,3,4-thiadiazole-2-thione Openeye Name: 5-(4-isopropylanilino)-3-(pyrrolidin-1-ium-1-ylmethyl)-1,3,4-thiadiazole-2-thione CAS Name: 5-(4-propan-2-ylanilino)-3-(1-pyrrolidin-1-iumylmethyl)-1,3,4-thiadiazole-2-thione IUPAC Name: 5-(4-propan-2-ylanilino)-3-(pyrrolidin-1-ium-1-ylmethyl)-1,3,4-thiadiazole-2-thione Traditional Name: 5-cumidino-3-(pyrrolidin-1-ium-1-ylmethyl)-1,3,4-thiadiazole-2-thione Formula: C16H23N4S2+ MolecularWeight: 335.51062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N4S2/c1-12(2)13-5-7-14(8-6-13)17-15-18-20(16(21)22-15)11-19-9-3-4-10-19/h5-8,12H,3-4,9-11H2,1-2H3,(H,17,18)/p+1