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

Systemtic Name: 3-[2-[4-[(2S)-butan-2-yl]phenyl]quinolin-4-yl]-4-ethyl-1H-1,2,4-triazole-5-thione Openeye Name: 4-ethyl-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-ethyl-1H-1,2,4-triazole-5-thione IUPAC Name: 3-[2-[4-[(2S)-butan-2-yl]phenyl]quinolin-4-yl]-4-ethyl-1H-1,2,4-triazole-5-thione Traditional Name: 4-ethyl-3-[2-[4-[(1S)-1-methylpropyl]phenyl]-4-quinolyl]-1H-1,2,4-triazole-5-thione Formula: C23H24N4S MolecularWeight: 388.52846

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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)N4CC

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C4=NNC(=S)N4CC

InChI

InChI=1S/C23H24N4S/c1-4-15(3)16-10-12-17(13-11-16)21-14-19(18-8-6-7-9-20(18)24-21)22-25-26-23(28)27(22)5-2/h6-15H,4-5H2,1-3H3,(H,26,28)/t15-/m0/s1