3-(1-adamantylmethyl)-4-(1-ethyl-5-methyl-pyrazol-4-yl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-(1-adamantylmethyl)-4-(1-ethyl-5-methyl-pyrazol-4-yl)-1H-1,2,4-triazole-5-thione Openeye Name: 3-(1-adamantylmethyl)-4-(1-ethyl-5-methyl-pyrazol-4-yl)-1H-1,2,4-triazole-5-thione CAS Name: 3-(1-adamantylmethyl)-4-(1-ethyl-5-methyl-4-pyrazolyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(1-adamantylmethyl)-4-(1-ethyl-5-methylpyrazol-4-yl)-1H-1,2,4-triazole-5-thione Traditional Name: 3-(1-adamantylmethyl)-4-(1-ethyl-5-methyl-pyrazol-4-yl)-1H-1,2,4-triazole-5-thione Formula: C19H27N5S MolecularWeight: 357.51618

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)N2C(=NNC2=S)CC34CC5CC(C3)CC(C5)C4)C

Isomeric SMILES

CCN1C(=C(C=N1)N2C(=NNC2=S)CC34CC5CC(C3)CC(C5)C4)C

InChI

InChI=1S/C19H27N5S/c1-3-23-12(2)16(11-20-23)24-17(21-22-18(24)25)10-19-7-13-4-14(8-19)6-15(5-13)9-19/h11,13-15H,3-10H2,1-2H3,(H,22,25)