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

Systemtic Name: 5-(2,4-dichlorophenyl)-2-[(3-methylpiperidin-1-yl)methyl]-4-phenyl-1,2,4-triazole-3-thione Openeye Name: 5-(2,4-dichlorophenyl)-2-[(3-methyl-1-piperidyl)methyl]-4-phenyl-1,2,4-triazole-3-thione CAS Name: 5-(2,4-dichlorophenyl)-2-[(3-methyl-1-piperidinyl)methyl]-4-phenyl-1,2,4-triazole-3-thione IUPAC Name: 5-(2,4-dichlorophenyl)-2-[(3-methylpiperidin-1-yl)methyl]-4-phenyl-1,2,4-triazole-3-thione Traditional Name: 5-(2,4-dichlorophenyl)-2-[(3-methylpiperidino)methyl]-4-phenyl-1,2,4-triazole-3-thione Formula: C21H22Cl2N4S MolecularWeight: 433.39718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22Cl2N4S/c1-15-6-5-11-25(13-15)14-26-21(28)27(17-7-3-2-4-8-17)20(24-26)18-10-9-16(22)12-19(18)23/h2-4,7-10,12,15H,5-6,11,13-14H2,1H3