5-[(3,4-dimethylphenyl)amino]-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,3,4-thiadiazole-2-thione

Systemtic Name: 5-[(3,4-dimethylphenyl)amino]-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,3,4-thiadiazole-2-thione Openeye Name: 5-(3,4-dimethylanilino)-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,3,4-thiadiazole-2-thione CAS Name: 5-(3,4-dimethylanilino)-3-[(4-phenyl-1-piperazin-1-iumyl)methyl]-1,3,4-thiadiazole-2-thione IUPAC Name: 5-(3,4-dimethylanilino)-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,3,4-thiadiazole-2-thione Traditional Name: 5-(3,4-dimethylanilino)-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,3,4-thiadiazole-2-thione Formula: C21H26N5S2+ MolecularWeight: 412.59464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=NN(C(=S)S2)C[NH+]3CCN(CC3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=NN(C(=S)S2)C[NH+]3CCN(CC3)C4=CC=CC=C4)C

InChI

InChI=1S/C21H25N5S2/c1-16-8-9-18(14-17(16)2)22-20-23-26(21(27)28-20)15-24-10-12-25(13-11-24)19-6-4-3-5-7-19/h3-9,14H,10-13,15H2,1-2H3,(H,22,23)/p+1