2,5-bis[[4-(phenylmethyl)piperazin-1-yl]methyl]-4-prop-2-enyl-1,2,4-triazole-3-thione

Systemtic Name: 2,5-bis[[4-(phenylmethyl)piperazin-1-yl]methyl]-4-prop-2-enyl-1,2,4-triazole-3-thione Openeye Name: 4-allyl-2,5-bis[(4-benzylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione CAS Name: 2,5-bis[[4-(phenylmethyl)-1-piperazinyl]methyl]-4-prop-2-enyl-1,2,4-triazole-3-thione IUPAC Name: 2,5-bis[(4-benzylpiperazin-1-yl)methyl]-4-prop-2-enyl-1,2,4-triazole-3-thione Traditional Name: 4-allyl-2,5-bis[(4-benzylpiperazino)methyl]-1,2,4-triazole-3-thione Formula: C29H39N7S MolecularWeight: 517.73186

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN(C1=S)CN2CCN(CC2)CC3=CC=CC=C3)CN4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

C=CCN1C(=NN(C1=S)CN2CCN(CC2)CC3=CC=CC=C3)CN4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C29H39N7S/c1-2-13-35-28(24-33-16-14-31(15-17-33)22-26-9-5-3-6-10-26)30-36(29(35)37)25-34-20-18-32(19-21-34)23-27-11-7-4-8-12-27/h2-12H,1,13-25H2