4-(3-chloranyl-4-methoxy-phenyl)-5-phenyl-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione

Systemtic Name: 4-(3-chloranyl-4-methoxy-phenyl)-5-phenyl-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Openeye Name: 4-(3-chloro-4-methoxy-phenyl)-5-phenyl-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione CAS Name: 4-(3-chloro-4-methoxyphenyl)-5-phenyl-2-(1-pyrrolidin-1-iumylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 4-(3-chloro-4-methoxyphenyl)-5-phenyl-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Traditional Name: 4-(3-chloro-4-methoxy-phenyl)-5-phenyl-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Formula: C20H22ClN4OS+ MolecularWeight: 401.93288

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2C(=NN(C2=S)C[NH+]3CCCC3)C4=CC=CC=C4)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)N2C(=NN(C2=S)C[NH+]3CCCC3)C4=CC=CC=C4)Cl

InChI

InChI=1S/C20H21ClN4OS/c1-26-18-10-9-16(13-17(18)21)25-19(15-7-3-2-4-8-15)22-24(20(25)27)14-23-11-5-6-12-23/h2-4,7-10,13H,5-6,11-12,14H2,1H3/p+1