3-(1-adamantylmethyl)-4-(2-ethylphenyl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-(1-adamantylmethyl)-4-(2-ethylphenyl)-1H-1,2,4-triazole-5-thione Openeye Name: 3-(1-adamantylmethyl)-4-(2-ethylphenyl)-1H-1,2,4-triazole-5-thione CAS Name: 3-(1-adamantylmethyl)-4-(2-ethylphenyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(1-adamantylmethyl)-4-(2-ethylphenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 3-(1-adamantylmethyl)-4-(2-ethylphenyl)-1H-1,2,4-triazole-5-thione Formula: C21H27N3S MolecularWeight: 353.52418

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1N2C(=NNC2=S)CC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCC1=CC=CC=C1N2C(=NNC2=S)CC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C21H27N3S/c1-2-17-5-3-4-6-18(17)24-19(22-23-20(24)25)13-21-10-14-7-15(11-21)9-16(8-14)12-21/h3-6,14-16H,2,7-13H2,1H3,(H,23,25)