5-phenyl-2-[[4-(phenylmethyl)piperazin-1-yl]methyl]-1H-1,2,4-triazole-3-thione

Systemtic Name: 5-phenyl-2-[[4-(phenylmethyl)piperazin-1-yl]methyl]-1H-1,2,4-triazole-3-thione Openeye Name: 2-[(4-benzylpiperazin-1-yl)methyl]-5-phenyl-1H-1,2,4-triazole-3-thione CAS Name: 5-phenyl-2-[[4-(phenylmethyl)-1-piperazinyl]methyl]-1H-1,2,4-triazole-3-thione IUPAC Name: 2-[(4-benzylpiperazin-1-yl)methyl]-5-phenyl-1H-1,2,4-triazole-3-thione Traditional Name: 2-[(4-benzylpiperazino)methyl]-5-phenyl-1H-1,2,4-triazole-3-thione Formula: C20H23N5S MolecularWeight: 365.49512

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)CN3C(=S)N=C(N3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)CN3C(=S)N=C(N3)C4=CC=CC=C4

InChI

InChI=1S/C20H23N5S/c26-20-21-19(18-9-5-2-6-10-18)22-25(20)16-24-13-11-23(12-14-24)15-17-7-3-1-4-8-17/h1-10H,11-16H2,(H,21,22,26)