2-cyclohexyl-1-(2-methylquinolin-4-yl)-3-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)guanidine dihydrate

Systemtic Name: 2-cyclohexyl-1-(2-methylquinolin-4-yl)-3-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)guanidine dihydrate Openeye Name: 2-cyclohexyl-1-(2-methyl-4-quinolyl)-3-(2-thioxo-3H-1,3,4-thiadiazol-5-yl)guanidine dihydrate CAS Name: 2-cyclohexyl-1-(2-methyl-4-quinolinyl)-3-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)guanidine dihydrate IUPAC Name: 2-cyclohexyl-1-(2-methylquinolin-4-yl)-3-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)guanidine dihydrate Traditional Name: 2-cyclohexyl-1-(2-methyl-4-quinolyl)-3-(2-thioxo-3H-1,3,4-thiadiazol-5-yl)guanidine dihydrate Formula: C19H26N6O2S2 MolecularWeight: 434.57874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)NC(=NC3CCCCC3)NC4=NNC(=S)S4.O.O

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)NC(=NC3CCCCC3)NC4=NNC(=S)S4.O.O

InChI

InChI=1S/C19H22N6S2.2H2O/c1-12-11-16(14-9-5-6-10-15(14)20-12)22-17(21-13-7-3-2-4-8-13)23-18-24-25-19(26)27-18;;/h5-6,9-11,13H,2-4,7-8H2,1H3,(H,25,26)(H2,20,21,22,23,24);2*1H2