imidazol-1-yl 3-(4-aminophenyl)sulfanyl-2-methyl-benzoate

Systemtic Name: imidazol-1-yl 3-(4-aminophenyl)sulfanyl-2-methyl-benzoate Openeye Name: imidazol-1-yl 3-(4-aminophenyl)sulfanyl-2-methyl-benzoate CAS Name: 3-[(4-aminophenyl)thio]-2-methylbenzoic acid 1-imidazolyl ester IUPAC Name: imidazol-1-yl 3-(4-aminophenyl)sulfanyl-2-methylbenzoate Traditional Name: 3-[(4-aminophenyl)thio]-2-methyl-benzoic acid imidazol-1-yl ester Formula: C17H15N3O2S MolecularWeight: 325.3849

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1SC2=CC=C(C=C2)N)C(=O)ON3C=CN=C3

Isomeric SMILES

CC1=C(C=CC=C1SC2=CC=C(C=C2)N)C(=O)ON3C=CN=C3

InChI

InChI=1S/C17H15N3O2S/c1-12-15(17(21)22-20-10-9-19-11-20)3-2-4-16(12)23-14-7-5-13(18)6-8-14/h2-11H,18H2,1H3