2,3-dimethyl-N-(5-phenethylsulfanyl-1,3,4-thiadiazol-2-yl)quinoxaline-6-carboxamide

Systemtic Name: 2,3-dimethyl-N-(5-phenethylsulfanyl-1,3,4-thiadiazol-2-yl)quinoxaline-6-carboxamide Openeye Name: 2,3-dimethyl-N-(5-phenethylsulfanyl-1,3,4-thiadiazol-2-yl)quinoxaline-6-carboxamide CAS Name: 2,3-dimethyl-N-[5-(phenethylthio)-1,3,4-thiadiazol-2-yl]-6-quinoxalinecarboxamide IUPAC Name: 2,3-dimethyl-N-(5-phenethylsulfanyl-1,3,4-thiadiazol-2-yl)quinoxaline-6-carboxamide Traditional Name: 2,3-dimethyl-N-[5-(phenethylthio)-1,3,4-thiadiazol-2-yl]quinoxaline-6-carboxamide Formula: C21H19N5OS2 MolecularWeight: 421.53846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(C=C2)C(=O)NC3=NN=C(S3)SCCC4=CC=CC=C4)N=C1C

Isomeric SMILES

CC1=NC2=C(C=C(C=C2)C(=O)NC3=NN=C(S3)SCCC4=CC=CC=C4)N=C1C

InChI

InChI=1S/C21H19N5OS2/c1-13-14(2)23-18-12-16(8-9-17(18)22-13)19(27)24-20-25-26-21(29-20)28-11-10-15-6-4-3-5-7-15/h3-9,12H,10-11H2,1-2H3,(H,24,25,27)