1-[[5-[(3,4-dimethylphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]-3,3-dimethyl-butan-2-one

Systemtic Name: 1-[[5-[(3,4-dimethylphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]-3,3-dimethyl-butan-2-one Openeye Name: 1-[[5-(3,4-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3,3-dimethyl-butan-2-one CAS Name: 1-[[5-(3,4-dimethylanilino)-1,3,4-thiadiazol-2-yl]thio]-3,3-dimethyl-2-butanone IUPAC Name: 1-[[5-(3,4-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3,3-dimethylbutan-2-one Traditional Name: 1-[[5-(3,4-dimethylanilino)-1,3,4-thiadiazol-2-yl]thio]-3,3-dimethyl-butan-2-one Formula: C16H21N3OS2 MolecularWeight: 335.48744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=NN=C(S2)SCC(=O)C(C)(C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=NN=C(S2)SCC(=O)C(C)(C)C)C

InChI

InChI=1S/C16H21N3OS2/c1-10-6-7-12(8-11(10)2)17-14-18-19-15(22-14)21-9-13(20)16(3,4)5/h6-8H,9H2,1-5H3,(H,17,18)