3-[2-[4-[(2S)-butan-2-yl]phenyl]quinolin-4-yl]-4-methyl-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-[2-[4-[(2S)-butan-2-yl]phenyl]quinolin-4-yl]-4-methyl-1H-1,2,4-triazole-5-thione Openeye Name: 4-methyl-3-[2-[4-[(1S)-1-methylpropyl]phenyl]-4-quinolyl]-1H-1,2,4-triazole-5-thione CAS Name: 3-[2-[4-[(2S)-butan-2-yl]phenyl]-4-quinolinyl]-4-methyl-1H-1,2,4-triazole-5-thione IUPAC Name: 3-[2-[4-[(2S)-butan-2-yl]phenyl]quinolin-4-yl]-4-methyl-1H-1,2,4-triazole-5-thione Traditional Name: 4-methyl-3-[2-[4-[(1S)-1-methylpropyl]phenyl]-4-quinolyl]-1H-1,2,4-triazole-5-thione Formula: C22H22N4S MolecularWeight: 374.50188

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C4=NNC(=S)N4C

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C4=NNC(=S)N4C

InChI

InChI=1S/C22H22N4S/c1-4-14(2)15-9-11-16(12-10-15)20-13-18(21-24-25-22(27)26(21)3)17-7-5-6-8-19(17)23-20/h5-14H,4H2,1-3H3,(H,25,27)/t14-/m0/s1