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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NNC2=S)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC=CC=C1N2C(=NNC2=S)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C19H23N3S/c1-12-4-2-3-5-16(12)22-17(20-21-18(22)23)19-9-13-6-14(10-19)8-15(7-13)11-19/h2-5,13-15H,6-11H2,1H3,(H,21,23)