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

Systemtic Name: 4-cyclopropyl-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-5-(thiophen-2-ylmethyl)-1,2,4-triazole-3-thione Openeye Name: 4-cyclopropyl-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-5-(2-thienylmethyl)-1,2,4-triazole-3-thione CAS Name: 4-cyclopropyl-2-[(4-phenyl-1-piperazin-1-iumyl)methyl]-5-(thiophen-2-ylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 4-cyclopropyl-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-5-(thiophen-2-ylmethyl)-1,2,4-triazole-3-thione Traditional Name: 4-cyclopropyl-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-5-(2-thenyl)-1,2,4-triazole-3-thione Formula: C21H26N5S2+ MolecularWeight: 412.59464

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN(C2=S)C[NH+]3CCN(CC3)C4=CC=CC=C4)CC5=CC=CS5

Isomeric SMILES

C1CC1N2C(=NN(C2=S)C[NH+]3CCN(CC3)C4=CC=CC=C4)CC5=CC=CS5

InChI

InChI=1S/C21H25N5S2/c27-21-25(16-23-10-12-24(13-11-23)17-5-2-1-3-6-17)22-20(26(21)18-8-9-18)15-19-7-4-14-28-19/h1-7,14,18H,8-13,15-16H2/p+1