benzoic acid; 4-prop-2-enyl-1,2,4-triazolidine-3,5-dithione

Systemtic Name: benzoic acid; 4-prop-2-enyl-1,2,4-triazolidine-3,5-dithione Openeye Name: 4-allyl-1,2,4-triazolidine-3,5-dithione; benzoic acid CAS Name: benzoic acid; 4-prop-2-enyl-1,2,4-triazolidine-3,5-dithione IUPAC Name: benzoic acid; 4-prop-2-enyl-1,2,4-triazolidine-3,5-dithione Traditional Name: 4-allyl-1,2,4-triazolidine-3,5-dithione; benzoic acid Formula: C12H13N3O2S2 MolecularWeight: 295.38052

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=S)NNC1=S.C1=CC=C(C=C1)C(=O)O

Isomeric SMILES

C=CCN1C(=S)NNC1=S.C1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C7H6O2.C5H7N3S2/c8-7(9)6-4-2-1-3-5-6;1-2-3-8-4(9)6-7-5(8)10/h1-5H,(H,8,9);2H,1,3H2,(H,6,9)(H,7,10)