4-[(S)-(3-bromanyl-4-oxidanyl-phenyl)-(1,2,4-triazol-1-yl)methyl]benzenecarbonitrile

Systemtic Name: 4-[(S)-(3-bromanyl-4-oxidanyl-phenyl)-(1,2,4-triazol-1-yl)methyl]benzenecarbonitrile Openeye Name: 4-[(S)-(3-bromo-4-hydroxy-phenyl)-(1,2,4-triazol-1-yl)methyl]benzonitrile CAS Name: 4-[(S)-(3-bromo-4-hydroxyphenyl)-(1,2,4-triazol-1-yl)methyl]benzonitrile IUPAC Name: 4-[(S)-(3-bromo-4-hydroxyphenyl)-(1,2,4-triazol-1-yl)methyl]benzonitrile Traditional Name: 4-[(S)-(3-bromo-4-hydroxy-phenyl)-(1,2,4-triazol-1-yl)methyl]benzonitrile Formula: C16H11BrN4O MolecularWeight: 355.18874

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)C(C2=CC(=C(C=C2)O)Br)N3C=NC=N3

Isomeric SMILES

C1=CC(=CC=C1C#N)[C@@H](C2=CC(=C(C=C2)O)Br)N3C=NC=N3

InChI

InChI=1S/C16H11BrN4O/c17-14-7-13(5-6-15(14)22)16(21-10-19-9-20-21)12-3-1-11(8-18)2-4-12/h1-7,9-10,16,22H/t16-/m0/s1