(3S)-4-(benzotriazol-1-yl)-3-methyl-hexa-1,4,5-trien-3-ol

Systemtic Name: (3S)-4-(benzotriazol-1-yl)-3-methyl-hexa-1,4,5-trien-3-ol Openeye Name: (3S)-4-(benzotriazol-1-yl)-3-methyl-hexa-1,4,5-trien-3-ol CAS Name: (3S)-4-(1-benzotriazolyl)-3-methyl-3-hexa-1,4,5-trienol IUPAC Name: (3S)-4-(benzotriazol-1-yl)-3-methylhexa-1,4,5-trien-3-ol Traditional Name: (3S)-4-(benzotriazol-1-yl)-3-methyl-hexa-1,4,5-trien-3-ol Formula: C13H13N3O MolecularWeight: 227.26182

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Descriptors Computed from Structure

Canonical SMILES:

CC(C=C)(C(=C=C)N1C2=CC=CC=C2N=N1)O

Isomeric SMILES

C[C@](C=C)(C(=C=C)N1C2=CC=CC=C2N=N1)O

InChI

InChI=1S/C13H13N3O/c1-4-12(13(3,17)5-2)16-11-9-7-6-8-10(11)14-15-16/h5-9,17H,1-2H2,3H3/t13-/m0/s1