3-[(1-tert-butyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-2-chloranyl-quinoline

Systemtic Name: 3-[(1-tert-butyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-2-chloranyl-quinoline Openeye Name: 3-[(1-tert-butyltetrazol-5-yl)sulfanylmethyl]-2-chloro-quinoline CAS Name: 3-[[(1-tert-butyl-5-tetrazolyl)thio]methyl]-2-chloroquinoline IUPAC Name: 3-[(1-tert-butyltetrazol-5-yl)sulfanylmethyl]-2-chloroquinoline Traditional Name: 3-[[(1-tert-butyltetrazol-5-yl)thio]methyl]-2-chloro-quinoline Formula: C15H16ClN5S MolecularWeight: 333.83904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=NN=N1)SCC2=CC3=CC=CC=C3N=C2Cl

Isomeric SMILES

CC(C)(C)N1C(=NN=N1)SCC2=CC3=CC=CC=C3N=C2Cl

InChI

InChI=1S/C15H16ClN5S/c1-15(2,3)21-14(18-19-20-21)22-9-11-8-10-6-4-5-7-12(10)17-13(11)16/h4-8H,9H2,1-3H3