5-(3,4-dimethylphenyl)-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide

Systemtic Name: 5-(3,4-dimethylphenyl)-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide Openeye Name: N-(5-allylsulfanyl-1,3,4-thiadiazol-2-yl)-5-(3,4-dimethylphenyl)isoxazole-3-carboxamide CAS Name: 5-(3,4-dimethylphenyl)-N-[5-(prop-2-enylthio)-1,3,4-thiadiazol-2-yl]-3-isoxazolecarboxamide IUPAC Name: 5-(3,4-dimethylphenyl)-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide Traditional Name: N-[5-(allylthio)-1,3,4-thiadiazol-2-yl]-5-(3,4-dimethylphenyl)isoxazole-3-carboxamide Formula: C17H16N4O2S2 MolecularWeight: 372.46454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CC(=NO2)C(=O)NC3=NN=C(S3)SCC=C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CC(=NO2)C(=O)NC3=NN=C(S3)SCC=C)C

InChI

InChI=1S/C17H16N4O2S2/c1-4-7-24-17-20-19-16(25-17)18-15(22)13-9-14(23-21-13)12-6-5-10(2)11(3)8-12/h4-6,8-9H,1,7H2,2-3H3,(H,18,19,22)