2-[2-(2-chloranylethanoyl)-5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-ylidene]ethanenitrile

Systemtic Name: 2-[2-(2-chloranylethanoyl)-5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-ylidene]ethanenitrile Openeye Name: 2-[2-(2-chloroacetyl)-5-morpholino-4-phenyl-1,2,4-triazol-3-ylidene]acetonitrile CAS Name: 2-[2-(2-chloro-1-oxoethyl)-5-(4-morpholinyl)-4-phenyl-1,2,4-triazol-3-ylidene]acetonitrile IUPAC Name: 2-[2-(2-chloroacetyl)-5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-ylidene]acetonitrile Traditional Name: 2-[2-(2-chloroacetyl)-5-morpholino-4-phenyl-1,2,4-triazol-3-ylidene]acetonitrile Formula: C16H16ClN5O2 MolecularWeight: 345.78354

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NN(C(=CC#N)N2C3=CC=CC=C3)C(=O)CCl

Isomeric SMILES

C1COCCN1C2=NN(C(=CC#N)N2C3=CC=CC=C3)C(=O)CCl

InChI

InChI=1S/C16H16ClN5O2/c17-12-15(23)22-14(6-7-18)21(13-4-2-1-3-5-13)16(19-22)20-8-10-24-11-9-20/h1-6H,8-12H2