5-[1-(3-chloranyl-4-methyl-phenyl)-5-thiophen-2-yl-pyrazol-4-yl]-1-phenyl-1,2,3,4-tetrazole

Systemtic Name: 5-[1-(3-chloranyl-4-methyl-phenyl)-5-thiophen-2-yl-pyrazol-4-yl]-1-phenyl-1,2,3,4-tetrazole Openeye Name: 5-[1-(3-chloro-4-methyl-phenyl)-5-(2-thienyl)pyrazol-4-yl]-1-phenyl-tetrazole CAS Name: 5-[1-(3-chloro-4-methylphenyl)-5-thiophen-2-yl-4-pyrazolyl]-1-phenyltetrazole IUPAC Name: 5-[1-(3-chloro-4-methylphenyl)-5-thiophen-2-ylpyrazol-4-yl]-1-phenyltetrazole Traditional Name: 5-[1-(3-chloro-4-methyl-phenyl)-5-(2-thienyl)pyrazol-4-yl]-1-phenyl-tetrazole Formula: C21H15ClN6S MolecularWeight: 418.902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=C(C=N2)C3=NN=NN3C4=CC=CC=C4)C5=CC=CS5)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=C(C=N2)C3=NN=NN3C4=CC=CC=C4)C5=CC=CS5)Cl

InChI

InChI=1S/C21H15ClN6S/c1-14-9-10-16(12-18(14)22)27-20(19-8-5-11-29-19)17(13-23-27)21-24-25-26-28(21)15-6-3-2-4-7-15/h2-13H,1H3