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

Systemtic Name: 3-heptyl-4-(phenylmethyl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-benzyl-3-heptyl-1H-1,2,4-triazole-5-thione CAS Name: 3-heptyl-4-(phenylmethyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-benzyl-3-heptyl-1H-1,2,4-triazole-5-thione Traditional Name: 4-benzyl-3-heptyl-1H-1,2,4-triazole-5-thione Formula: C16H23N3S MolecularWeight: 289.43892

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=NNC(=S)N1CC2=CC=CC=C2

Isomeric SMILES

CCCCCCCC1=NNC(=S)N1CC2=CC=CC=C2

InChI

InChI=1S/C16H23N3S/c1-2-3-4-5-9-12-15-17-18-16(20)19(15)13-14-10-7-6-8-11-14/h6-8,10-11H,2-5,9,12-13H2,1H3,(H,18,20)