4-azanyl-4-chloranyl-1-[1-(2-methyl-1,2,4-triazol-3-yl)butoxy]cyclohexa-2,5-diene-1-carbonitrile

Systemtic Name: 4-azanyl-4-chloranyl-1-[1-(2-methyl-1,2,4-triazol-3-yl)butoxy]cyclohexa-2,5-diene-1-carbonitrile Openeye Name: 4-amino-4-chloro-1-[1-(2-methyl-1,2,4-triazol-3-yl)butoxy]cyclohexa-2,5-diene-1-carbonitrile CAS Name: 4-amino-4-chloro-1-[1-(2-methyl-1,2,4-triazol-3-yl)butoxy]-1-cyclohexa-2,5-dienecarbonitrile IUPAC Name: 4-amino-4-chloro-1-[1-(2-methyl-1,2,4-triazol-3-yl)butoxy]cyclohexa-2,5-diene-1-carbonitrile Traditional Name: 4-amino-4-chloro-1-[1-(2-methyl-1,2,4-triazol-3-yl)butoxy]cyclohexa-2,5-diene-1-carbonitrile Formula: C14H18ClN5O MolecularWeight: 307.77862

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=NC=NN1C)OC2(C=CC(C=C2)(N)Cl)C#N

Isomeric SMILES

CCCC(C1=NC=NN1C)OC2(C=CC(C=C2)(N)Cl)C#N

InChI

InChI=1S/C14H18ClN5O/c1-3-4-11(12-18-10-19-20(12)2)21-13(9-16)5-7-14(15,17)8-6-13/h5-8,10-11H,3-4,17H2,1-2H3