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

Systemtic Name: 5-cyclopropyl-4-(phenylmethyl)-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Openeye Name: 4-benzyl-5-cyclopropyl-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione CAS Name: 5-cyclopropyl-4-(phenylmethyl)-2-[(4-phenyl-1-piperazin-1-iumyl)methyl]-1,2,4-triazole-3-thione IUPAC Name: 4-benzyl-5-cyclopropyl-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Traditional Name: 4-benzyl-5-cyclopropyl-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Formula: C23H28N5S+ MolecularWeight: 406.56692

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN(C(=S)N2CC3=CC=CC=C3)C[NH+]4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

C1CC1C2=NN(C(=S)N2CC3=CC=CC=C3)C[NH+]4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C23H27N5S/c29-23-27(17-19-7-3-1-4-8-19)22(20-11-12-20)24-28(23)18-25-13-15-26(16-14-25)21-9-5-2-6-10-21/h1-10,20H,11-18H2/p+1