2-[(E)-3-(4-methylphenyl)sulfonylprop-2-enyl]sulfanyl-1,3-benzoxazole

Systemtic Name: 2-[(E)-3-(4-methylphenyl)sulfonylprop-2-enyl]sulfanyl-1,3-benzoxazole Openeye Name: 2-[(E)-3-(p-tolylsulfonyl)allyl]sulfanyl-1,3-benzoxazole CAS Name: 2-[[(E)-3-(4-methylphenyl)sulfonylprop-2-enyl]thio]-1,3-benzoxazole IUPAC Name: 2-[(E)-3-(4-methylphenyl)sulfonylprop-2-enyl]sulfanyl-1,3-benzoxazole Traditional Name: 2-[[(E)-3-tosylallyl]thio]-1,3-benzoxazole Formula: C17H15NO3S2 MolecularWeight: 345.4359

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C=CCSC2=NC3=CC=CC=C3O2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)/C=C/CSC2=NC3=CC=CC=C3O2

InChI

InChI=1S/C17H15NO3S2/c1-13-7-9-14(10-8-13)23(19,20)12-4-11-22-17-18-15-5-2-3-6-16(15)21-17/h2-10,12H,11H2,1H3/b12-4+