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

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)-2-[(4-methylpiperidin-1-yl)methyl]-5-phenyl-1,2,4-triazole-3-thione Openeye Name: 4-(1,3-benzodioxol-5-ylmethyl)-2-[(4-methyl-1-piperidyl)methyl]-5-phenyl-1,2,4-triazole-3-thione CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-2-[(4-methyl-1-piperidinyl)methyl]-5-phenyl-1,2,4-triazole-3-thione IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)-2-[(4-methylpiperidin-1-yl)methyl]-5-phenyl-1,2,4-triazole-3-thione Traditional Name: 2-[(4-methylpiperidino)methyl]-5-phenyl-4-piperonyl-1,2,4-triazole-3-thione Formula: C23H26N4O2S MolecularWeight: 422.54314

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)CN2C(=S)N(C(=N2)C3=CC=CC=C3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1CCN(CC1)CN2C(=S)N(C(=N2)C3=CC=CC=C3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H26N4O2S/c1-17-9-11-25(12-10-17)15-27-23(30)26(22(24-27)19-5-3-2-4-6-19)14-18-7-8-20-21(13-18)29-16-28-20/h2-8,13,17H,9-12,14-16H2,1H3