5-(3-methylphenyl)-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-4-propyl-1,2,4-triazole-3-thione

Systemtic Name: 5-(3-methylphenyl)-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-4-propyl-1,2,4-triazole-3-thione Openeye Name: 5-(m-tolyl)-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-4-propyl-1,2,4-triazole-3-thione CAS Name: 5-(3-methylphenyl)-2-[(4-phenyl-1-piperazin-1-iumyl)methyl]-4-propyl-1,2,4-triazole-3-thione IUPAC Name: 5-(3-methylphenyl)-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-4-propyl-1,2,4-triazole-3-thione Traditional Name: 5-(m-tolyl)-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-4-propyl-1,2,4-triazole-3-thione Formula: C23H30N5S+ MolecularWeight: 408.5828

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN(C1=S)C[NH+]2CCN(CC2)C3=CC=CC=C3)C4=CC(=CC=C4)C

Isomeric SMILES

CCCN1C(=NN(C1=S)C[NH+]2CCN(CC2)C3=CC=CC=C3)C4=CC(=CC=C4)C

InChI

InChI=1S/C23H29N5S/c1-3-12-27-22(20-9-7-8-19(2)17-20)24-28(23(27)29)18-25-13-15-26(16-14-25)21-10-5-4-6-11-21/h4-11,17H,3,12-16,18H2,1-2H3/p+1