5-heptyl-5-methyl-2-phenyl-1,2,4-triazolidine-3-thione

Systemtic Name: 5-heptyl-5-methyl-2-phenyl-1,2,4-triazolidine-3-thione Openeye Name: 5-heptyl-5-methyl-2-phenyl-1,2,4-triazolidine-3-thione CAS Name: 5-heptyl-5-methyl-2-phenyl-1,2,4-triazolidine-3-thione IUPAC Name: 5-heptyl-5-methyl-2-phenyl-1,2,4-triazolidine-3-thione Traditional Name: 5-heptyl-5-methyl-2-phenyl-1,2,4-triazolidine-3-thione Formula: C16H25N3S MolecularWeight: 291.4548

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1(NC(=S)N(N1)C2=CC=CC=C2)C

Isomeric SMILES

CCCCCCCC1(NC(=S)N(N1)C2=CC=CC=C2)C

InChI

InChI=1S/C16H25N3S/c1-3-4-5-6-10-13-16(2)17-15(20)19(18-16)14-11-8-7-9-12-14/h7-9,11-12,18H,3-6,10,13H2,1-2H3,(H,17,20)