S-(5-aminocarbonyl-1H-imidazol-4-yl) 4-methylbenzenecarbothioate

Systemtic Name: S-(5-aminocarbonyl-1H-imidazol-4-yl) 4-methylbenzenecarbothioate Openeye Name: S-(5-carbamoyl-1H-imidazol-4-yl) 4-methylbenzenecarbothioate CAS Name: 4-methylbenzenecarbothioic acid S-(5-carbamoyl-1H-imidazol-4-yl) ester IUPAC Name: S-(5-carbamoyl-1H-imidazol-4-yl) 4-methylbenzenecarbothioate Traditional Name: 4-methylthiobenzoic acid S-(5-carbamoyl-1H-imidazol-4-yl) ester Formula: C12H11N3O2S MolecularWeight: 261.29964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)SC2=C(NC=N2)C(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)SC2=C(NC=N2)C(=O)N

InChI

InChI=1S/C12H11N3O2S/c1-7-2-4-8(5-3-7)12(17)18-11-9(10(13)16)14-6-15-11/h2-6H,1H3,(H2,13,16)(H,14,15)