1-[5-[(3-chloranyl-4-methyl-phenyl)amino]-1,2,4-thiadiazol-3-yl]propan-2-one

Systemtic Name: 1-[5-[(3-chloranyl-4-methyl-phenyl)amino]-1,2,4-thiadiazol-3-yl]propan-2-one Openeye Name: 1-[5-(3-chloro-4-methyl-anilino)-1,2,4-thiadiazol-3-yl]propan-2-one CAS Name: 1-[5-(3-chloro-4-methylanilino)-1,2,4-thiadiazol-3-yl]-2-propanone IUPAC Name: 1-[5-(3-chloro-4-methylanilino)-1,2,4-thiadiazol-3-yl]propan-2-one Traditional Name: 1-[5-(3-chloro-4-methyl-anilino)-1,2,4-thiadiazol-3-yl]acetone Formula: C12H12ClN3OS MolecularWeight: 281.76118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=NC(=NS2)CC(=O)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=NC(=NS2)CC(=O)C)Cl

InChI

InChI=1S/C12H12ClN3OS/c1-7-3-4-9(6-10(7)13)14-12-15-11(16-18-12)5-8(2)17/h3-4,6H,5H2,1-2H3,(H,14,15,16)