1-(4-tert-butylphenyl)-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone

Systemtic Name: 1-(4-tert-butylphenyl)-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone Openeye Name: 2-[[5-(allylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-(4-tert-butylphenyl)ethanone CAS Name: 1-(4-tert-butylphenyl)-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]thio]ethanone IUPAC Name: 1-(4-tert-butylphenyl)-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone Traditional Name: 2-[[5-(allylamino)-1,3,4-thiadiazol-2-yl]thio]-1-(4-tert-butylphenyl)ethanone Formula: C17H21N3OS2 MolecularWeight: 347.49814

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)CSC2=NN=C(S2)NCC=C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)CSC2=NN=C(S2)NCC=C

InChI

InChI=1S/C17H21N3OS2/c1-5-10-18-15-19-20-16(23-15)22-11-14(21)12-6-8-13(9-7-12)17(2,3)4/h5-9H,1,10-11H2,2-4H3,(H,18,19)