4-(3,4-dichlorophenyl)-5-pyridin-4-yl-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione

Systemtic Name: 4-(3,4-dichlorophenyl)-5-pyridin-4-yl-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Openeye Name: 4-(3,4-dichlorophenyl)-5-(4-pyridyl)-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione CAS Name: 4-(3,4-dichlorophenyl)-5-pyridin-4-yl-2-(1-pyrrolidin-1-iumylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 4-(3,4-dichlorophenyl)-5-pyridin-4-yl-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Traditional Name: 4-(3,4-dichlorophenyl)-5-(4-pyridyl)-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Formula: C18H18Cl2N5S+ MolecularWeight: 407.34002

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CN2C(=S)N(C(=N2)C3=CC=NC=C3)C4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

C1CC[NH+](C1)CN2C(=S)N(C(=N2)C3=CC=NC=C3)C4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C18H17Cl2N5S/c19-15-4-3-14(11-16(15)20)25-17(13-5-7-21-8-6-13)22-24(18(25)26)12-23-9-1-2-10-23/h3-8,11H,1-2,9-10,12H2/p+1