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

Systemtic Name: 3-(1-adamantyl)-4-(phenylmethyl)-1H-1,2,4-triazole-5-thione Openeye Name: 3-(1-adamantyl)-4-benzyl-1H-1,2,4-triazole-5-thione CAS Name: 3-(1-adamantyl)-4-(phenylmethyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(1-adamantyl)-4-benzyl-1H-1,2,4-triazole-5-thione Traditional Name: 3-(1-adamantyl)-4-benzyl-1H-1,2,4-triazole-5-thione Formula: C19H23N3S MolecularWeight: 325.47102

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=NNC(=S)N4CC5=CC=CC=C5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=NNC(=S)N4CC5=CC=CC=C5

InChI

InChI=1S/C19H23N3S/c23-18-21-20-17(22(18)12-13-4-2-1-3-5-13)19-9-14-6-15(10-19)8-16(7-14)11-19/h1-5,14-16H,6-12H2,(H,21,23)