5,5-dipentyl-2-phenyl-1,2,4-triazolidine-3-thione

Systemtic Name: 5,5-dipentyl-2-phenyl-1,2,4-triazolidine-3-thione Openeye Name: 5,5-dipentyl-2-phenyl-1,2,4-triazolidine-3-thione CAS Name: 5,5-dipentyl-2-phenyl-1,2,4-triazolidine-3-thione IUPAC Name: 5,5-dipentyl-2-phenyl-1,2,4-triazolidine-3-thione Traditional Name: 5,5-diamyl-2-phenyl-1,2,4-triazolidine-3-thione Formula: C18H29N3S MolecularWeight: 319.50796

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1(NC(=S)N(N1)C2=CC=CC=C2)CCCCC

Isomeric SMILES

CCCCCC1(NC(=S)N(N1)C2=CC=CC=C2)CCCCC

InChI

InChI=1S/C18H29N3S/c1-3-5-10-14-18(15-11-6-4-2)19-17(22)21(20-18)16-12-8-7-9-13-16/h7-9,12-13,20H,3-6,10-11,14-15H2,1-2H3,(H,19,22)