4-methyl-5-phenyl-1,2,4-triazole-3-thiolate; octadecylazanium

Systemtic Name: 4-methyl-5-phenyl-1,2,4-triazole-3-thiolate; octadecylazanium Openeye Name: 4-methyl-5-phenyl-1,2,4-triazole-3-thiolate; octadecylammonium CAS Name: 4-methyl-5-phenyl-1,2,4-triazole-3-thiolate; octadecylammonium IUPAC Name: 4-methyl-5-phenyl-1,2,4-triazole-3-thiolate; octadecylazanium Traditional Name: 4-methyl-5-phenyl-1,2,4-triazole-3-thiolate; stearylammonium Formula: C27H48N4S MolecularWeight: 460.76182

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[NH3+].CN1C(=NN=C1[S-])C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[NH3+].CN1C(=NN=C1[S-])C2=CC=CC=C2

InChI

InChI=1S/C18H39N.C9H9N3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;1-12-8(10-11-9(12)13)7-5-3-2-4-6-7/h2-19H2,1H3;2-6H,1H3,(H,11,13)