3-nonyl-4-(phenylmethyl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-nonyl-4-(phenylmethyl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-benzyl-3-nonyl-1H-1,2,4-triazole-5-thione CAS Name: 3-nonyl-4-(phenylmethyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-benzyl-3-nonyl-1H-1,2,4-triazole-5-thione Traditional Name: 4-benzyl-3-nonyl-1H-1,2,4-triazole-5-thione Formula: C18H27N3S MolecularWeight: 317.49208

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=NNC(=S)N1CC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCC1=NNC(=S)N1CC2=CC=CC=C2

InChI

InChI=1S/C18H27N3S/c1-2-3-4-5-6-7-11-14-17-19-20-18(22)21(17)15-16-12-9-8-10-13-16/h8-10,12-13H,2-7,11,14-15H2,1H3,(H,20,22)