1-[4-[(3,5-dibutyl-1,2,4-triazol-1-yl)methyl]phenyl]pyrrole-2-carbonitrile

Systemtic Name: 1-[4-[(3,5-dibutyl-1,2,4-triazol-1-yl)methyl]phenyl]pyrrole-2-carbonitrile Openeye Name: 1-[4-[(3,5-dibutyl-1,2,4-triazol-1-yl)methyl]phenyl]pyrrole-2-carbonitrile CAS Name: 1-[4-[(3,5-dibutyl-1,2,4-triazol-1-yl)methyl]phenyl]-2-pyrrolecarbonitrile IUPAC Name: 1-[4-[(3,5-dibutyl-1,2,4-triazol-1-yl)methyl]phenyl]pyrrole-2-carbonitrile Traditional Name: 1-[4-[(3,5-dibutyl-1,2,4-triazol-1-yl)methyl]phenyl]pyrrole-2-carbonitrile Formula: C22H27N5 MolecularWeight: 361.48328

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN(C(=N1)CCCC)CC2=CC=C(C=C2)N3C=CC=C3C#N

Isomeric SMILES

CCCCC1=NN(C(=N1)CCCC)CC2=CC=C(C=C2)N3C=CC=C3C#N

InChI

InChI=1S/C22H27N5/c1-3-5-9-21-24-22(10-6-4-2)27(25-21)17-18-11-13-19(14-12-18)26-15-7-8-20(26)16-23/h7-8,11-15H,3-6,9-10,17H2,1-2H3