4-(3-chloranyl-4-methyl-phenyl)-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione

Systemtic Name: 4-(3-chloranyl-4-methyl-phenyl)-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Openeye Name: 4-(3-chloro-4-methyl-phenyl)-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione CAS Name: 4-(3-chloro-4-methylphenyl)-2-(1-pyrrolidin-1-iumylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 4-(3-chloro-4-methylphenyl)-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Traditional Name: 4-(3-chloro-4-methyl-phenyl)-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Formula: C14H18ClN4S+ MolecularWeight: 309.83752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C=NN(C2=S)C[NH+]3CCCC3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C=NN(C2=S)C[NH+]3CCCC3)Cl

InChI

InChI=1S/C14H17ClN4S/c1-11-4-5-12(8-13(11)15)18-9-16-19(14(18)20)10-17-6-2-3-7-17/h4-5,8-9H,2-3,6-7,10H2,1H3/p+1