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

Systemtic Name: 1-[4-[(3,5-dibutyl-1,2,4-triazol-1-yl)methyl]phenyl]pyrrole-3-carbonitrile Openeye Name: 1-[4-[(3,5-dibutyl-1,2,4-triazol-1-yl)methyl]phenyl]pyrrole-3-carbonitrile CAS Name: 1-[4-[(3,5-dibutyl-1,2,4-triazol-1-yl)methyl]phenyl]-3-pyrrolecarbonitrile IUPAC Name: 1-[4-[(3,5-dibutyl-1,2,4-triazol-1-yl)methyl]phenyl]pyrrole-3-carbonitrile Traditional Name: 1-[4-[(3,5-dibutyl-1,2,4-triazol-1-yl)methyl]phenyl]pyrrole-3-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(=C3)C#N

Isomeric SMILES

CCCCC1=NN(C(=N1)CCCC)CC2=CC=C(C=C2)N3C=CC(=C3)C#N

InChI

InChI=1S/C22H27N5/c1-3-5-7-21-24-22(8-6-4-2)27(25-21)17-18-9-11-20(12-10-18)26-14-13-19(15-23)16-26/h9-14,16H,3-8,17H2,1-2H3