4-(3-chlorophenyl)-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione

Systemtic Name: 4-(3-chlorophenyl)-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Openeye Name: 4-(3-chlorophenyl)-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione CAS Name: 4-(3-chlorophenyl)-2-(1-pyrrolidin-1-iumylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 4-(3-chlorophenyl)-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Traditional Name: 4-(3-chlorophenyl)-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Formula: C13H16ClN4S+ MolecularWeight: 295.81094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15ClN4S/c14-11-4-3-5-12(8-11)17-9-15-18(13(17)19)10-16-6-1-2-7-16/h3-5,8-9H,1-2,6-7,10H2/p+1