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

Systemtic Name: 4-[2-[3-oxidanyl-3-phenyl-4-(1,2,4-triazol-1-yl)butan-2-yl]-1,3-thiazol-4-yl]benzenecarbonitrile Openeye Name: 4-[2-[2-hydroxy-1-methyl-2-phenyl-3-(1,2,4-triazol-1-yl)propyl]thiazol-4-yl]benzonitrile CAS Name: 4-[2-[3-hydroxy-3-phenyl-4-(1,2,4-triazol-1-yl)butan-2-yl]-4-thiazolyl]benzonitrile IUPAC Name: 4-[2-[3-hydroxy-3-phenyl-4-(1,2,4-triazol-1-yl)butan-2-yl]-1,3-thiazol-4-yl]benzonitrile Traditional Name: 4-[2-[2-hydroxy-1-methyl-2-phenyl-3-(1,2,4-triazol-1-yl)propyl]thiazol-4-yl]benzonitrile Formula: C22H19N5OS MolecularWeight: 401.48416

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=CS1)C2=CC=C(C=C2)C#N)C(CN3C=NC=N3)(C4=CC=CC=C4)O

Isomeric SMILES

CC(C1=NC(=CS1)C2=CC=C(C=C2)C#N)C(CN3C=NC=N3)(C4=CC=CC=C4)O

InChI

InChI=1S/C22H19N5OS/c1-16(21-26-20(12-29-21)18-9-7-17(11-23)8-10-18)22(28,13-27-15-24-14-25-27)19-5-3-2-4-6-19/h2-10,12,14-16,28H,13H2,1H3