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

Systemtic Name: 5-(4-chlorophenyl)-2-[(4-phenylpiperazin-1-yl)methyl]-1H-1,2,4-triazole-3-thione Openeye Name: 5-(4-chlorophenyl)-2-[(4-phenylpiperazin-1-yl)methyl]-1H-1,2,4-triazole-3-thione CAS Name: 5-(4-chlorophenyl)-2-[(4-phenyl-1-piperazinyl)methyl]-1H-1,2,4-triazole-3-thione IUPAC Name: 5-(4-chlorophenyl)-2-[(4-phenylpiperazin-1-yl)methyl]-1H-1,2,4-triazole-3-thione Traditional Name: 5-(4-chlorophenyl)-2-[(4-phenylpiperazino)methyl]-1H-1,2,4-triazole-3-thione Formula: C19H20ClN5S MolecularWeight: 385.9136

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CN2C(=S)N=C(N2)C3=CC=C(C=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CN2C(=S)N=C(N2)C3=CC=C(C=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C19H20ClN5S/c20-16-8-6-15(7-9-16)18-21-19(26)25(22-18)14-23-10-12-24(13-11-23)17-4-2-1-3-5-17/h1-9H,10-14H2,(H,21,22,26)