3-chloranyl-4-morpholin-4-ylsulfonyl-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide

Systemtic Name: 3-chloranyl-4-morpholin-4-ylsulfonyl-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide Openeye Name: N-(5-allylsulfanyl-1,3,4-thiadiazol-2-yl)-3-chloro-4-morpholinosulfonyl-benzamide CAS Name: 3-chloro-4-(4-morpholinylsulfonyl)-N-[5-(prop-2-enylthio)-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 3-chloro-4-morpholin-4-ylsulfonyl-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide Traditional Name: N-[5-(allylthio)-1,3,4-thiadiazol-2-yl]-3-chloro-4-morpholinosulfonyl-benzamide Formula: C16H17ClN4O4S3 MolecularWeight: 460.97858

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=NN=C(S1)NC(=O)C2=CC(=C(C=C2)S(=O)(=O)N3CCOCC3)Cl

Isomeric SMILES

C=CCSC1=NN=C(S1)NC(=O)C2=CC(=C(C=C2)S(=O)(=O)N3CCOCC3)Cl

InChI

InChI=1S/C16H17ClN4O4S3/c1-2-9-26-16-20-19-15(27-16)18-14(22)11-3-4-13(12(17)10-11)28(23,24)21-5-7-25-8-6-21/h2-4,10H,1,5-9H2,(H,18,19,22)