4-cyclopropyl-5-methyl-2-[[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione

Systemtic Name: 4-cyclopropyl-5-methyl-2-[[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Openeye Name: 4-cyclopropyl-5-methyl-2-[[4-[(2-phenylthiazol-4-yl)methyl]piperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione CAS Name: 4-cyclopropyl-5-methyl-2-[[4-[(2-phenyl-4-thiazolyl)methyl]-1-piperazin-1-iumyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 4-cyclopropyl-5-methyl-2-[[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Traditional Name: 4-cyclopropyl-5-methyl-2-[[4-[(2-phenylthiazol-4-yl)methyl]piperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Formula: C21H27N6S2+ MolecularWeight: 427.60928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=S)N1C2CC2)C[NH+]3CCN(CC3)CC4=CSC(=N4)C5=CC=CC=C5

Isomeric SMILES

CC1=NN(C(=S)N1C2CC2)C[NH+]3CCN(CC3)CC4=CSC(=N4)C5=CC=CC=C5

InChI

InChI=1S/C21H26N6S2/c1-16-23-26(21(28)27(16)19-7-8-19)15-25-11-9-24(10-12-25)13-18-14-29-20(22-18)17-5-3-2-4-6-17/h2-6,14,19H,7-13,15H2,1H3/p+1