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

Systemtic Name: 3-(3-chloranyl-4-oxidanyl-phenyl)-4-(1,2,4-triazol-1-ylmethyl)benzenecarbonitrile Openeye Name: 3-(3-chloro-4-hydroxy-phenyl)-4-(1,2,4-triazol-1-ylmethyl)benzonitrile CAS Name: 3-(3-chloro-4-hydroxyphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzonitrile IUPAC Name: 3-(3-chloro-4-hydroxyphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzonitrile Traditional Name: 3-(3-chloro-4-hydroxy-phenyl)-4-(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=C1C#N)C2=CC(=C(C=C2)O)Cl)CN3C=NC=N3

Isomeric SMILES

C1=CC(=C(C=C1C#N)C2=CC(=C(C=C2)O)Cl)CN3C=NC=N3

InChI

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