5-(furan-2-yl)-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-4-phenyl-1,2,4-triazole-3-thione

Systemtic Name: 5-(furan-2-yl)-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-4-phenyl-1,2,4-triazole-3-thione Openeye Name: 5-(2-furyl)-2-[[(3S)-3-methyl-1-piperidyl]methyl]-4-phenyl-1,2,4-triazole-3-thione CAS Name: 5-(2-furanyl)-2-[[(3S)-3-methyl-1-piperidinyl]methyl]-4-phenyl-1,2,4-triazole-3-thione IUPAC Name: 5-(furan-2-yl)-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-4-phenyl-1,2,4-triazole-3-thione Traditional Name: 5-(2-furyl)-2-[[(3S)-3-methylpiperidino]methyl]-4-phenyl-1,2,4-triazole-3-thione Formula: C19H22N4OS MolecularWeight: 354.46918

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)CN2C(=S)N(C(=N2)C3=CC=CO3)C4=CC=CC=C4

Isomeric SMILES

C[C@H]1CCCN(C1)CN2C(=S)N(C(=N2)C3=CC=CO3)C4=CC=CC=C4

InChI

InChI=1S/C19H22N4OS/c1-15-7-5-11-21(13-15)14-22-19(25)23(16-8-3-2-4-9-16)18(20-22)17-10-6-12-24-17/h2-4,6,8-10,12,15H,5,7,11,13-14H2,1H3/t15-/m0/s1