3-(3-chloranyl-4-oxidanyl-phenyl)-5-(1,2,4-triazol-1-ylmethyl)benzenecarbonitrile

Systemtic Name: 3-(3-chloranyl-4-oxidanyl-phenyl)-5-(1,2,4-triazol-1-ylmethyl)benzenecarbonitrile Openeye Name: 3-(3-chloro-4-hydroxy-phenyl)-5-(1,2,4-triazol-1-ylmethyl)benzonitrile CAS Name: 3-(3-chloro-4-hydroxyphenyl)-5-(1,2,4-triazol-1-ylmethyl)benzonitrile IUPAC Name: 3-(3-chloro-4-hydroxyphenyl)-5-(1,2,4-triazol-1-ylmethyl)benzonitrile Traditional Name: 3-(3-chloro-4-hydroxy-phenyl)-5-(1,2,4-triazol-1-ylmethyl)benzonitrile Formula: C16H11ClN4O MolecularWeight: 310.73774

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C2=CC(=CC(=C2)C#N)CN3C=NC=N3)Cl)O

Isomeric SMILES

C1=CC(=C(C=C1C2=CC(=CC(=C2)C#N)CN3C=NC=N3)Cl)O

InChI

InChI=1S/C16H11ClN4O/c17-15-6-13(1-2-16(15)22)14-4-11(7-18)3-12(5-14)8-21-10-19-9-20-21/h1-6,9-10,22H,8H2