2-[chloranyl-(3-methyl-1,2-oxazol-5-yl)-phenyl-methyl]-5-methyl-benzenethiol

Systemtic Name: 2-[chloranyl-(3-methyl-1,2-oxazol-5-yl)-phenyl-methyl]-5-methyl-benzenethiol Openeye Name: 2-[chloro-(3-methylisoxazol-5-yl)-phenyl-methyl]-5-methyl-benzenethiol CAS Name: 2-[chloro-(3-methyl-5-isoxazolyl)-phenylmethyl]-5-methylbenzenethiol IUPAC Name: 2-[chloro-(3-methyl-1,2-oxazol-5-yl)-phenylmethyl]-5-methylbenzenethiol Traditional Name: 2-[chloro-(3-methylisoxazol-5-yl)-phenyl-methyl]-5-methyl-benzenethiol Formula: C18H16ClNOS MolecularWeight: 329.84374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C2=CC=CC=C2)(C3=CC(=NO3)C)Cl)S

Isomeric SMILES

CC1=CC(=C(C=C1)C(C2=CC=CC=C2)(C3=CC(=NO3)C)Cl)S

InChI

InChI=1S/C18H16ClNOS/c1-12-8-9-15(16(22)10-12)18(19,14-6-4-3-5-7-14)17-11-13(2)20-21-17/h3-11,22H,1-2H3