1-[2-methyl-5-(5-methylhex-1-ynyl)-2-phenyl-1,3,4-thiadiazol-3-yl]ethanone

Systemtic Name: 1-[2-methyl-5-(5-methylhex-1-ynyl)-2-phenyl-1,3,4-thiadiazol-3-yl]ethanone Openeye Name: 1-[2-methyl-5-(5-methylhex-1-ynyl)-2-phenyl-1,3,4-thiadiazol-3-yl]ethanone CAS Name: 1-[2-methyl-5-(5-methylhex-1-ynyl)-2-phenyl-1,3,4-thiadiazol-3-yl]ethanone IUPAC Name: 1-[2-methyl-5-(5-methylhex-1-ynyl)-2-phenyl-1,3,4-thiadiazol-3-yl]ethanone Traditional Name: 1-[2-methyl-5-(5-methylhex-1-ynyl)-2-phenyl-1,3,4-thiadiazol-3-yl]ethanone Formula: C18H22N2OS MolecularWeight: 314.44508

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC#CC1=NN(C(S1)(C)C2=CC=CC=C2)C(=O)C

Isomeric SMILES

CC(C)CCC#CC1=NN(C(S1)(C)C2=CC=CC=C2)C(=O)C

InChI

InChI=1S/C18H22N2OS/c1-14(2)10-8-9-13-17-19-20(15(3)21)18(4,22-17)16-11-6-5-7-12-16/h5-7,11-12,14H,8,10H2,1-4H3