4-tert-butyl-N-[(E)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethylideneamino]benzamide

Systemtic Name: 4-tert-butyl-N-[(E)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethylideneamino]benzamide Openeye Name: 4-tert-butyl-N-[(E)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethylideneamino]benzamide CAS Name: 4-tert-butyl-N-[(E)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethylideneamino]benzamide IUPAC Name: 4-tert-butyl-N-[(E)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethylideneamino]benzamide Traditional Name: 4-tert-butyl-N-[(E)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethylideneamino]benzamide Formula: C21H23N5O MolecularWeight: 361.44022

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1=CC=C(C=C1)C(C)(C)C)C2=CC=C(C=C2)N3C=NC=N3

Isomeric SMILES

C/C(=N\NC(=O)C1=CC=C(C=C1)C(C)(C)C)/C2=CC=C(C=C2)N3C=NC=N3

InChI

InChI=1S/C21H23N5O/c1-15(16-7-11-19(12-8-16)26-14-22-13-23-26)24-25-20(27)17-5-9-18(10-6-17)21(2,3)4/h5-14H,1-4H3,(H,25,27)/b24-15+