(E,3S)-2-methyl-1-(2-methyl-1,3-thiazol-4-yl)hept-1-en-5-yn-3-ol

Systemtic Name: (E,3S)-2-methyl-1-(2-methyl-1,3-thiazol-4-yl)hept-1-en-5-yn-3-ol Openeye Name: (E,3S)-2-methyl-1-(2-methylthiazol-4-yl)hept-1-en-5-yn-3-ol CAS Name: (E,3S)-2-methyl-1-(2-methyl-4-thiazolyl)-3-hept-1-en-5-ynol IUPAC Name: (E,3S)-2-methyl-1-(2-methyl-1,3-thiazol-4-yl)hept-1-en-5-yn-3-ol Traditional Name: (E,3S)-2-methyl-1-(2-methylthiazol-4-yl)hept-1-en-5-yn-3-ol Formula: C12H15NOS MolecularWeight: 221.3186

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCC(C(=CC1=CSC(=N1)C)C)O

Isomeric SMILES

CC#CC[C@@H](/C(=C/C1=CSC(=N1)C)/C)O

InChI

InChI=1S/C12H15NOS/c1-4-5-6-12(14)9(2)7-11-8-15-10(3)13-11/h7-8,12,14H,6H2,1-3H3/b9-7+/t12-/m0/s1