3-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]azepan-2-one

Systemtic Name: 3-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]azepan-2-one Openeye Name: 3-[[5-(allylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]azepan-2-one CAS Name: 3-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]thio]-2-azepanone IUPAC Name: 3-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]azepan-2-one Traditional Name: 3-[[5-(allylamino)-1,3,4-thiadiazol-2-yl]thio]azepan-2-one Formula: C11H16N4OS2 MolecularWeight: 284.40094

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=NN=C(S1)SC2CCCCNC2=O

Isomeric SMILES

C=CCNC1=NN=C(S1)SC2CCCCNC2=O

InChI

InChI=1S/C11H16N4OS2/c1-2-6-13-10-14-15-11(18-10)17-8-5-3-4-7-12-9(8)16/h2,8H,1,3-7H2,(H,12,16)(H,13,14)