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

Systemtic Name: 4-(2-hydroxyethyl)-5-phenyl-2-[(4-phenylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione Openeye Name: 4-(2-hydroxyethyl)-5-phenyl-2-[(4-phenylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione CAS Name: 4-(2-hydroxyethyl)-5-phenyl-2-[(4-phenyl-1-piperazinyl)methyl]-1,2,4-triazole-3-thione IUPAC Name: 4-(2-hydroxyethyl)-5-phenyl-2-[(4-phenylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione Traditional Name: 4-(2-hydroxyethyl)-5-phenyl-2-[(4-phenylpiperazino)methyl]-1,2,4-triazole-3-thione Formula: C21H25N5OS MolecularWeight: 395.5211

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N5OS/c27-16-15-25-20(18-7-3-1-4-8-18)22-26(21(25)28)17-23-11-13-24(14-12-23)19-9-5-2-6-10-19/h1-10,27H,11-17H2