(5S,7R)-3-bromanyl-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)adamantane-1-carboxamide

Systemtic Name: (5S,7R)-3-bromanyl-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)adamantane-1-carboxamide Openeye Name: (5S,7R)-N-(5-allylsulfanyl-1,3,4-thiadiazol-2-yl)-3-bromo-adamantane-1-carboxamide CAS Name: (5S,7R)-3-bromo-N-[5-(prop-2-enylthio)-1,3,4-thiadiazol-2-yl]-1-adamantanecarboxamide IUPAC Name: (5S,7R)-3-bromo-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)adamantane-1-carboxamide Traditional Name: (5S,7R)-N-[5-(allylthio)-1,3,4-thiadiazol-2-yl]-3-bromo-adamantane-1-carboxamide Formula: C16H20BrN3OS2 MolecularWeight: 414.3835

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=NN=C(S1)NC(=O)C23CC4CC(C2)CC(C4)(C3)Br

Isomeric SMILES

C=CCSC1=NN=C(S1)NC(=O)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)Br

InChI

InChI=1S/C16H20BrN3OS2/c1-2-3-22-14-20-19-13(23-14)18-12(21)15-5-10-4-11(6-15)8-16(17,7-10)9-15/h2,10-11H,1,3-9H2,(H,18,19,21)/t10-,11+,15?,16?