phenyl N-(3-imidazol-1-ylcarbonyl-4-sulfanyl-phenyl)carbamate

Systemtic Name: phenyl N-(3-imidazol-1-ylcarbonyl-4-sulfanyl-phenyl)carbamate Openeye Name: phenyl N-[3-(imidazole-1-carbonyl)-4-sulfanyl-phenyl]carbamate CAS Name: N-[3-[1-imidazolyl(oxo)methyl]-4-mercaptophenyl]carbamic acid phenyl ester IUPAC Name: phenyl N-[3-(imidazole-1-carbonyl)-4-sulfanylphenyl]carbamate Traditional Name: N-[3-(imidazole-1-carbonyl)-4-mercapto-phenyl]carbamic acid phenyl ester Formula: C17H13N3O3S MolecularWeight: 339.36842

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC(=O)NC2=CC(=C(C=C2)S)C(=O)N3C=CN=C3

Isomeric SMILES

C1=CC=C(C=C1)OC(=O)NC2=CC(=C(C=C2)S)C(=O)N3C=CN=C3

InChI

InChI=1S/C17H13N3O3S/c21-16(20-9-8-18-11-20)14-10-12(6-7-15(14)24)19-17(22)23-13-4-2-1-3-5-13/h1-11,24H,(H,19,22)