1-(3,5-dimethylphenyl)-3-(1,2-oxazol-3-yl)thiourea

Systemtic Name: 1-(3,5-dimethylphenyl)-3-(1,2-oxazol-3-yl)thiourea Openeye Name: 1-(3,5-dimethylphenyl)-3-isoxazol-3-yl-thiourea CAS Name: 1-(3,5-dimethylphenyl)-3-(3-isoxazolyl)thiourea IUPAC Name: 1-(3,5-dimethylphenyl)-3-(1,2-oxazol-3-yl)thiourea Traditional Name: 1-(3,5-dimethylphenyl)-3-isoxazol-3-yl-thiourea Formula: C12H13N3OS MolecularWeight: 247.31612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=S)NC2=NOC=C2)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=S)NC2=NOC=C2)C

InChI

InChI=1S/C12H13N3OS/c1-8-5-9(2)7-10(6-8)13-12(17)14-11-3-4-16-15-11/h3-7H,1-2H3,(H2,13,14,15,17)