1-[[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-methyl-thiourea

Systemtic Name: 1-[[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-methyl-thiourea Openeye Name: 1-[[3-(4-chlorophenyl)-4,5-dihydroisoxazol-5-yl]methyl]-3-methyl-thiourea CAS Name: 1-[[3-(4-chlorophenyl)-4,5-dihydroisoxazol-5-yl]methyl]-3-methylthiourea IUPAC Name: 1-[[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-methylthiourea Traditional Name: 1-[[3-(4-chlorophenyl)-2-isoxazolin-5-yl]methyl]-3-methyl-thiourea Formula: C12H14ClN3OS MolecularWeight: 283.77706

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)NCC1CC(=NO1)C2=CC=C(C=C2)Cl

Isomeric SMILES

CNC(=S)NCC1CC(=NO1)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C12H14ClN3OS/c1-14-12(18)15-7-10-6-11(16-17-10)8-2-4-9(13)5-3-8/h2-5,10H,6-7H2,1H3,(H2,14,15,18)