5-[(3-methylphenyl)amino]-3-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]-1,3,4-thiadiazole-2-thione

Systemtic Name: 5-[(3-methylphenyl)amino]-3-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]-1,3,4-thiadiazole-2-thione Openeye Name: 5-(3-methylanilino)-3-[[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]methyl]-1,3,4-thiadiazole-2-thione CAS Name: 5-(3-methylanilino)-3-[(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)methyl]-1,3,4-thiadiazole-2-thione IUPAC Name: 5-(3-methylanilino)-3-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]-1,3,4-thiadiazole-2-thione Traditional Name: 5-(m-toluidino)-3-[[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]methyl]-1,3,4-thiadiazole-2-thione Formula: C18H22N5O2S4+ MolecularWeight: 468.65958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC2=NN(C(=S)S2)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

CC1=CC(=CC=C1)NC2=NN(C(=S)S2)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C18H21N5O2S4/c1-14-4-2-5-15(12-14)19-17-20-23(18(26)28-17)13-21-7-9-22(10-8-21)29(24,25)16-6-3-11-27-16/h2-6,11-12H,7-10,13H2,1H3,(H,19,20)/p+1