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

Systemtic Name: 4-(3-chloranyl-4-oxidanyl-phenyl)-2-(1,2,4-triazol-1-ylmethyl)benzenecarbonitrile Openeye Name: 4-(3-chloro-4-hydroxy-phenyl)-2-(1,2,4-triazol-1-ylmethyl)benzonitrile CAS Name: 4-(3-chloro-4-hydroxyphenyl)-2-(1,2,4-triazol-1-ylmethyl)benzonitrile IUPAC Name: 4-(3-chloro-4-hydroxyphenyl)-2-(1,2,4-triazol-1-ylmethyl)benzonitrile Traditional Name: 4-(3-chloro-4-hydroxy-phenyl)-2-(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(=C(C=C2)O)Cl)CN3C=NC=N3)C#N

Isomeric SMILES

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

InChI

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