2-[[4-(diphenylmethyl)piperazine-1,4-diium-1-yl]methyl]-5-methyl-4-prop-2-enyl-1,2,4-triazole-3-thione

Systemtic Name: 2-[[4-(diphenylmethyl)piperazine-1,4-diium-1-yl]methyl]-5-methyl-4-prop-2-enyl-1,2,4-triazole-3-thione Openeye Name: 4-allyl-2-[(4-benzhydrylpiperazine-1,4-diium-1-yl)methyl]-5-methyl-1,2,4-triazole-3-thione CAS Name: 2-[[4-(diphenylmethyl)-1-piperazine-1,4-diiumyl]methyl]-5-methyl-4-prop-2-enyl-1,2,4-triazole-3-thione IUPAC Name: 2-[(4-benzhydrylpiperazine-1,4-diium-1-yl)methyl]-5-methyl-4-prop-2-enyl-1,2,4-triazole-3-thione Traditional Name: 4-allyl-2-[(4-benzhydrylpiperazine-1,4-diium-1-yl)methyl]-5-methyl-1,2,4-triazole-3-thione Formula: C24H31N5S+2 MolecularWeight: 421.60144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=S)N1CC=C)C[NH+]2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=S)N1CC=C)C[NH+]2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H29N5S/c1-3-14-28-20(2)25-29(24(28)30)19-26-15-17-27(18-16-26)23(21-10-6-4-7-11-21)22-12-8-5-9-13-22/h3-13,23H,1,14-19H2,2H3/p+2