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

Systemtic Name: 5-[(3,4-dimethylphenyl)amino]-3-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]-1,3,4-thiadiazole-2-thione Openeye Name: 5-(3,4-dimethylanilino)-3-[[2-(3-pyridyl)pyrrolidin-1-yl]methyl]-1,3,4-thiadiazole-2-thione CAS Name: 5-(3,4-dimethylanilino)-3-[[2-(3-pyridinyl)-1-pyrrolidinyl]methyl]-1,3,4-thiadiazole-2-thione IUPAC Name: 5-(3,4-dimethylanilino)-3-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]-1,3,4-thiadiazole-2-thione Traditional Name: 5-(3,4-dimethylanilino)-3-[[2-(3-pyridyl)pyrrolidino]methyl]-1,3,4-thiadiazole-2-thione Formula: C20H23N5S2 MolecularWeight: 397.56012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=NN(C(=S)S2)CN3CCCC3C4=CN=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=NN(C(=S)S2)CN3CCCC3C4=CN=CC=C4)C

InChI

InChI=1S/C20H23N5S2/c1-14-7-8-17(11-15(14)2)22-19-23-25(20(26)27-19)13-24-10-4-6-18(24)16-5-3-9-21-12-16/h3,5,7-9,11-12,18H,4,6,10,13H2,1-2H3,(H,22,23)