4-methylbenzoic acid; 1-phenyl-1,2,4-triazolidine-3,5-dithione

Systemtic Name: 4-methylbenzoic acid; 1-phenyl-1,2,4-triazolidine-3,5-dithione Openeye Name: 4-methylbenzoic acid; 1-phenyl-1,2,4-triazolidine-3,5-dithione CAS Name: 4-methylbenzoic acid; 1-phenyl-1,2,4-triazolidine-3,5-dithione IUPAC Name: 4-methylbenzoic acid; 1-phenyl-1,2,4-triazolidine-3,5-dithione Traditional Name: 1-phenyl-1,2,4-triazolidine-3,5-dithione; p-toluic acid Formula: C24H23N3O4S2 MolecularWeight: 481.58712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)O.CC1=CC=C(C=C1)C(=O)O.C1=CC=C(C=C1)N2C(=S)NC(=S)N2

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)O.CC1=CC=C(C=C1)C(=O)O.C1=CC=C(C=C1)N2C(=S)NC(=S)N2

InChI

InChI=1S/C8H7N3S2.2C8H8O2/c12-7-9-8(13)11(10-7)6-4-2-1-3-5-6;2*1-6-2-4-7(5-3-6)8(9)10/h1-5H,(H2,9,10,12,13);2*2-5H,1H3,(H,9,10)