1-[(E)-1-(4-chlorophenyl)-4,4-dimethyl-pent-1-en-2-yl]-1,2,4-triazole

Systemtic Name: 1-[(E)-1-(4-chlorophenyl)-4,4-dimethyl-pent-1-en-2-yl]-1,2,4-triazole Openeye Name: 1-[(1E)-1-[(4-chlorophenyl)methylene]-3,3-dimethyl-butyl]-1,2,4-triazole CAS Name: 1-[(E)-1-(4-chlorophenyl)-4,4-dimethylpent-1-en-2-yl]-1,2,4-triazole IUPAC Name: 1-[(E)-1-(4-chlorophenyl)-4,4-dimethylpent-1-en-2-yl]-1,2,4-triazole Traditional Name: 1-[(E)-2-(4-chlorophenyl)-1-neopentyl-vinyl]-1,2,4-triazole Formula: C15H18ClN3 MolecularWeight: 275.77652

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=CC1=CC=C(C=C1)Cl)N2C=NC=N2

Isomeric SMILES

CC(C)(C)C/C(=C\C1=CC=C(C=C1)Cl)/N2C=NC=N2

InChI

InChI=1S/C15H18ClN3/c1-15(2,3)9-14(19-11-17-10-18-19)8-12-4-6-13(16)7-5-12/h4-8,10-11H,9H2,1-3H3/b14-8+