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

Systemtic Name: 1-(4-ethylphenyl)-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-1-one Openeye Name: 2-[[5-(allylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-(4-ethylphenyl)propan-1-one CAS Name: 1-(4-ethylphenyl)-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]thio]-1-propanone IUPAC Name: 1-(4-ethylphenyl)-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-1-one Traditional Name: 2-[[5-(allylamino)-1,3,4-thiadiazol-2-yl]thio]-1-(4-ethylphenyl)propan-1-one Formula: C16H19N3OS2 MolecularWeight: 333.47156

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)C(C)SC2=NN=C(S2)NCC=C

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)C(C)SC2=NN=C(S2)NCC=C

InChI

InChI=1S/C16H19N3OS2/c1-4-10-17-15-18-19-16(22-15)21-11(3)14(20)13-8-6-12(5-2)7-9-13/h4,6-9,11H,1,5,10H2,2-3H3,(H,17,18)