5-methyl-5-(3-methylbutyl)-2-phenyl-1,2,4-triazolidine-3-thione

Systemtic Name: 5-methyl-5-(3-methylbutyl)-2-phenyl-1,2,4-triazolidine-3-thione Openeye Name: 5-isopentyl-5-methyl-2-phenyl-1,2,4-triazolidine-3-thione CAS Name: 5-methyl-5-(3-methylbutyl)-2-phenyl-1,2,4-triazolidine-3-thione IUPAC Name: 5-methyl-5-(3-methylbutyl)-2-phenyl-1,2,4-triazolidine-3-thione Traditional Name: 5-isoamyl-5-methyl-2-phenyl-1,2,4-triazolidine-3-thione Formula: C14H21N3S MolecularWeight: 263.40164

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1(NC(=S)N(N1)C2=CC=CC=C2)C

Isomeric SMILES

CC(C)CCC1(NC(=S)N(N1)C2=CC=CC=C2)C

InChI

InChI=1S/C14H21N3S/c1-11(2)9-10-14(3)15-13(18)17(16-14)12-7-5-4-6-8-12/h4-8,11,16H,9-10H2,1-3H3,(H,15,18)