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

Systemtic Name: 3-tert-butyl-4-(phenylmethyl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-benzyl-3-tert-butyl-1H-1,2,4-triazole-5-thione CAS Name: 3-tert-butyl-4-(phenylmethyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-benzyl-3-tert-butyl-1H-1,2,4-triazole-5-thione Traditional Name: 4-benzyl-3-tert-butyl-1H-1,2,4-triazole-5-thione Formula: C13H17N3S MolecularWeight: 247.35918

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NNC(=S)N1CC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)C1=NNC(=S)N1CC2=CC=CC=C2

InChI

InChI=1S/C13H17N3S/c1-13(2,3)11-14-15-12(17)16(11)9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H,15,17)