5-[(2-methylphenyl)amino]-3-(pyrrolidin-1-ium-1-ylmethyl)-1,3,4-thiadiazole-2-thione

Systemtic Name: 5-[(2-methylphenyl)amino]-3-(pyrrolidin-1-ium-1-ylmethyl)-1,3,4-thiadiazole-2-thione Openeye Name: 5-(2-methylanilino)-3-(pyrrolidin-1-ium-1-ylmethyl)-1,3,4-thiadiazole-2-thione CAS Name: 5-(2-methylanilino)-3-(1-pyrrolidin-1-iumylmethyl)-1,3,4-thiadiazole-2-thione IUPAC Name: 5-(2-methylanilino)-3-(pyrrolidin-1-ium-1-ylmethyl)-1,3,4-thiadiazole-2-thione Traditional Name: 5-(o-toluidino)-3-(pyrrolidin-1-ium-1-ylmethyl)-1,3,4-thiadiazole-2-thione Formula: C14H19N4S2+ MolecularWeight: 307.45746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=NN(C(=S)S2)C[NH+]3CCCC3

Isomeric SMILES

CC1=CC=CC=C1NC2=NN(C(=S)S2)C[NH+]3CCCC3

InChI

InChI=1S/C14H18N4S2/c1-11-6-2-3-7-12(11)15-13-16-18(14(19)20-13)10-17-8-4-5-9-17/h2-3,6-7H,4-5,8-10H2,1H3,(H,15,16)/p+1