4-[2-[3-methyl-3-oxidanyl-4-(1,2,4-triazol-1-yl)butan-2-yl]-1,3-thiazol-4-yl]benzenecarbonitrile

Systemtic Name: 4-[2-[3-methyl-3-oxidanyl-4-(1,2,4-triazol-1-yl)butan-2-yl]-1,3-thiazol-4-yl]benzenecarbonitrile Openeye Name: 4-[2-[2-hydroxy-1,2-dimethyl-3-(1,2,4-triazol-1-yl)propyl]thiazol-4-yl]benzonitrile CAS Name: 4-[2-[3-hydroxy-3-methyl-4-(1,2,4-triazol-1-yl)butan-2-yl]-4-thiazolyl]benzonitrile IUPAC Name: 4-[2-[3-hydroxy-3-methyl-4-(1,2,4-triazol-1-yl)butan-2-yl]-1,3-thiazol-4-yl]benzonitrile Traditional Name: 4-[2-[2-hydroxy-1,2-dimethyl-3-(1,2,4-triazol-1-yl)propyl]thiazol-4-yl]benzonitrile Formula: C17H17N5OS MolecularWeight: 339.41478

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=CS1)C2=CC=C(C=C2)C#N)C(C)(CN3C=NC=N3)O

Isomeric SMILES

CC(C1=NC(=CS1)C2=CC=C(C=C2)C#N)C(C)(CN3C=NC=N3)O

InChI

InChI=1S/C17H17N5OS/c1-12(17(2,23)9-22-11-19-10-20-22)16-21-15(8-24-16)14-5-3-13(7-18)4-6-14/h3-6,8,10-12,23H,9H2,1-2H3