5-[1-[4-[(3-butyl-5-chloranyl-1,2,4-triazol-1-yl)methyl]phenyl]-3-propan-2-yl-pyrrol-2-yl]-2H-1,2,3,4-tetrazole

Systemtic Name: 5-[1-[4-[(3-butyl-5-chloranyl-1,2,4-triazol-1-yl)methyl]phenyl]-3-propan-2-yl-pyrrol-2-yl]-2H-1,2,3,4-tetrazole Openeye Name: 5-[1-[4-[(3-butyl-5-chloro-1,2,4-triazol-1-yl)methyl]phenyl]-3-isopropyl-pyrrol-2-yl]-2H-tetrazole CAS Name: 5-[1-[4-[(3-butyl-5-chloro-1,2,4-triazol-1-yl)methyl]phenyl]-3-propan-2-yl-2-pyrrolyl]-2H-tetrazole IUPAC Name: 5-[1-[4-[(3-butyl-5-chloro-1,2,4-triazol-1-yl)methyl]phenyl]-3-propan-2-ylpyrrol-2-yl]-2H-tetrazole Traditional Name: 5-[1-[4-[(3-butyl-5-chloro-1,2,4-triazol-1-yl)methyl]phenyl]-3-isopropyl-pyrrol-2-yl]-2H-tetrazole Formula: C21H25ClN8 MolecularWeight: 424.9298

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN(C(=N1)Cl)CC2=CC=C(C=C2)N3C=CC(=C3C4=NNN=N4)C(C)C

Isomeric SMILES

CCCCC1=NN(C(=N1)Cl)CC2=CC=C(C=C2)N3C=CC(=C3C4=NNN=N4)C(C)C

InChI

InChI=1S/C21H25ClN8/c1-4-5-6-18-23-21(22)30(26-18)13-15-7-9-16(10-8-15)29-12-11-17(14(2)3)19(29)20-24-27-28-25-20/h7-12,14H,4-6,13H2,1-3H3,(H,24,25,27,28)