5-phenyl-4-prop-2-enyl-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione

Systemtic Name: 5-phenyl-4-prop-2-enyl-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Openeye Name: 4-allyl-5-phenyl-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione CAS Name: 5-phenyl-4-prop-2-enyl-2-(1-pyrrolidin-1-iumylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 5-phenyl-4-prop-2-enyl-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Traditional Name: 4-allyl-5-phenyl-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Formula: C16H21N4S+ MolecularWeight: 301.42974

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN(C1=S)C[NH+]2CCCC2)C3=CC=CC=C3

Isomeric SMILES

C=CCN1C(=NN(C1=S)C[NH+]2CCCC2)C3=CC=CC=C3

InChI

InChI=1S/C16H20N4S/c1-2-10-19-15(14-8-4-3-5-9-14)17-20(16(19)21)13-18-11-6-7-12-18/h2-5,8-9H,1,6-7,10-13H2/p+1