1-(2-methyl-1-prop-2-ynyl-quinolin-1-ium-6-yl)-3-[3-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)sulfanyl]propyl]urea

Systemtic Name: 1-(2-methyl-1-prop-2-ynyl-quinolin-1-ium-6-yl)-3-[3-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)sulfanyl]propyl]urea Openeye Name: 1-(2-methyl-1-prop-2-ynyl-quinolin-1-ium-6-yl)-3-[3-[(2-thioxo-3H-1,3,4-thiadiazol-5-yl)sulfanyl]propyl]urea CAS Name: 1-(2-methyl-1-prop-2-ynyl-6-quinolin-1-iumyl)-3-[3-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)thio]propyl]urea IUPAC Name: 1-(2-methyl-1-prop-2-ynylquinolin-1-ium-6-yl)-3-[3-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)sulfanyl]propyl]urea Traditional Name: 1-(2-methyl-1-propargyl-quinolin-1-ium-6-yl)-3-[3-[(2-thioxo-3H-1,3,4-thiadiazol-5-yl)thio]propyl]urea Formula: C19H20N5OS3+ MolecularWeight: 430.59

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=C(C=C1)C=C(C=C2)NC(=O)NCCCSC3=NNC(=S)S3)CC#C

Isomeric SMILES

CC1=[N+](C2=C(C=C1)C=C(C=C2)NC(=O)NCCCSC3=NNC(=S)S3)CC#C

InChI

InChI=1S/C19H19N5OS3/c1-3-10-24-13(2)5-6-14-12-15(7-8-16(14)24)21-17(25)20-9-4-11-27-19-23-22-18(26)28-19/h1,5-8,12H,4,9-11H2,2H3,(H2-,20,21,22,25,26)/p+1