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

Systemtic Name: 5-(2-chlorophenyl)-2-[(3-methylpiperidin-1-yl)methyl]-4-phenyl-1,2,4-triazole-3-thione Openeye Name: 5-(2-chlorophenyl)-2-[(3-methyl-1-piperidyl)methyl]-4-phenyl-1,2,4-triazole-3-thione CAS Name: 5-(2-chlorophenyl)-2-[(3-methyl-1-piperidinyl)methyl]-4-phenyl-1,2,4-triazole-3-thione IUPAC Name: 5-(2-chlorophenyl)-2-[(3-methylpiperidin-1-yl)methyl]-4-phenyl-1,2,4-triazole-3-thione Traditional Name: 5-(2-chlorophenyl)-2-[(3-methylpiperidino)methyl]-4-phenyl-1,2,4-triazole-3-thione Formula: C21H23ClN4S MolecularWeight: 398.95212

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)CN2C(=S)N(C(=N2)C3=CC=CC=C3Cl)C4=CC=CC=C4

Isomeric SMILES

CC1CCCN(C1)CN2C(=S)N(C(=N2)C3=CC=CC=C3Cl)C4=CC=CC=C4

InChI

InChI=1S/C21H23ClN4S/c1-16-8-7-13-24(14-16)15-25-21(27)26(17-9-3-2-4-10-17)20(23-25)18-11-5-6-12-19(18)22/h2-6,9-12,16H,7-8,13-15H2,1H3