1-[(6-chloranyl-7-ethyl-2-oxidanylidene-chromen-4-yl)methyl]-1,2,4-triazole-3-carbonitrile

Systemtic Name: 1-[(6-chloranyl-7-ethyl-2-oxidanylidene-chromen-4-yl)methyl]-1,2,4-triazole-3-carbonitrile Openeye Name: 1-[(6-chloro-7-ethyl-2-oxo-chromen-4-yl)methyl]-1,2,4-triazole-3-carbonitrile CAS Name: 1-[(6-chloro-7-ethyl-2-oxo-1-benzopyran-4-yl)methyl]-1,2,4-triazole-3-carbonitrile IUPAC Name: 1-[(6-chloro-7-ethyl-2-oxochromen-4-yl)methyl]-1,2,4-triazole-3-carbonitrile Traditional Name: 1-[(6-chloro-7-ethyl-2-keto-chromen-4-yl)methyl]-1,2,4-triazole-3-carbonitrile Formula: C15H11ClN4O2 MolecularWeight: 314.72644

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=CC(=O)OC2=C1)CN3C=NC(=N3)C#N)Cl

Isomeric SMILES

CCC1=C(C=C2C(=CC(=O)OC2=C1)CN3C=NC(=N3)C#N)Cl

InChI

InChI=1S/C15H11ClN4O2/c1-2-9-3-13-11(5-12(9)16)10(4-15(21)22-13)7-20-8-18-14(6-17)19-20/h3-5,8H,2,7H2,1H3