tert-butyl N-[2-[(4,4-dimethyl-5-sulfanylidene-1H-imidazol-2-yl)sulfinylmethyl]phenyl]carbamate

Systemtic Name: tert-butyl N-[2-[(4,4-dimethyl-5-sulfanylidene-1H-imidazol-2-yl)sulfinylmethyl]phenyl]carbamate Openeye Name: tert-butyl N-[2-[(4,4-dimethyl-5-thioxo-1H-imidazol-2-yl)sulfinylmethyl]phenyl]carbamate CAS Name: N-[2-[(4,4-dimethyl-5-sulfanylidene-1H-imidazol-2-yl)sulfinylmethyl]phenyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-[(4,4-dimethyl-5-sulfanylidene-1H-imidazol-2-yl)sulfinylmethyl]phenyl]carbamate Traditional Name: N-[2-[(4,4-dimethyl-5-thioxo-2-imidazolin-2-yl)sulfinylmethyl]phenyl]carbamic acid tert-butyl ester Formula: C17H23N3O3S2 MolecularWeight: 381.51282

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=S)NC(=N1)S(=O)CC2=CC=CC=C2NC(=O)OC(C)(C)C)C

Isomeric SMILES

CC1(C(=S)NC(=N1)S(=O)CC2=CC=CC=C2NC(=O)OC(C)(C)C)C

InChI

InChI=1S/C17H23N3O3S2/c1-16(2,3)23-15(21)18-12-9-7-6-8-11(12)10-25(22)14-19-13(24)17(4,5)20-14/h6-9H,10H2,1-5H3,(H,18,21)(H,19,20,24)