3-[(4-chlorophenyl)methyl]-4-pyrrol-1-yl-1,2,4-triazole

Systemtic Name: 3-[(4-chlorophenyl)methyl]-4-pyrrol-1-yl-1,2,4-triazole Openeye Name: 3-[(4-chlorophenyl)methyl]-4-pyrrol-1-yl-1,2,4-triazole CAS Name: 3-[(4-chlorophenyl)methyl]-4-(1-pyrrolyl)-1,2,4-triazole IUPAC Name: 3-[(4-chlorophenyl)methyl]-4-pyrrol-1-yl-1,2,4-triazole Traditional Name: 3-(4-chlorobenzyl)-4-pyrrol-1-yl-1,2,4-triazole Formula: C13H11ClN4 MolecularWeight: 258.70624

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=C1)N2C=NN=C2CC3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CN(C=C1)N2C=NN=C2CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C13H11ClN4/c14-12-5-3-11(4-6-12)9-13-16-15-10-18(13)17-7-1-2-8-17/h1-8,10H,9H2