(4-tert-butylphenyl)methyl-methyl-[[5-(prop-2-enylamino)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]methyl]azanium

Systemtic Name: (4-tert-butylphenyl)methyl-methyl-[[5-(prop-2-enylamino)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]methyl]azanium Openeye Name: [5-(allylamino)-2-thioxo-1,3,4-thiadiazol-3-yl]methyl-[(4-tert-butylphenyl)methyl]-methyl-ammonium CAS Name: (4-tert-butylphenyl)methyl-methyl-[[5-(prop-2-enylamino)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]methyl]ammonium IUPAC Name: (4-tert-butylphenyl)methyl-methyl-[[5-(prop-2-enylamino)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]methyl]azanium Traditional Name: [5-(allylamino)-2-thioxo-1,3,4-thiadiazol-3-yl]methyl-(4-tert-butylbenzyl)-methyl-ammonium Formula: C18H27N4S2+ MolecularWeight: 363.56378

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C[NH+](C)CN2C(=S)SC(=N2)NCC=C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C[NH+](C)CN2C(=S)SC(=N2)NCC=C

InChI

InChI=1S/C18H26N4S2/c1-6-11-19-16-20-22(17(23)24-16)13-21(5)12-14-7-9-15(10-8-14)18(2,3)4/h6-10H,1,11-13H2,2-5H3,(H,19,20)/p+1