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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NNC1=S)CC2=CC=CC=C2

Isomeric SMILES

CCCCN1C(=NNC1=S)CC2=CC=CC=C2

InChI

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