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

Systemtic Name: 5-[2-[4-[(2S)-butan-2-yl]phenyl]quinolin-4-yl]-4-ethyl-1,2,4-triazole-3-thiolate Openeye Name: 4-ethyl-5-[2-[4-[(1S)-1-methylpropyl]phenyl]-4-quinolyl]-1,2,4-triazole-3-thiolate CAS Name: 5-[2-[4-[(2S)-butan-2-yl]phenyl]-4-quinolinyl]-4-ethyl-1,2,4-triazole-3-thiolate IUPAC Name: 5-[2-[4-[(2S)-butan-2-yl]phenyl]quinolin-4-yl]-4-ethyl-1,2,4-triazole-3-thiolate Traditional Name: 4-ethyl-5-[2-[4-[(1S)-1-methylpropyl]phenyl]-4-quinolyl]-1,2,4-triazole-3-thiolate Formula: C23H23N4S- MolecularWeight: 387.52052

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C4=NN=C(N4CC)[S-]

Isomeric SMILES

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

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)/p-1/t15-/m0/s1