N-[(5-chloranyl-2-methoxy-phenyl)methyl]-3-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]propan-1-amine

Systemtic Name: N-[(5-chloranyl-2-methoxy-phenyl)methyl]-3-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]propan-1-amine Openeye Name: N-[(5-chloro-2-methoxy-phenyl)methyl]-3-(1-methyltetrazol-5-yl)sulfanyl-propan-1-amine CAS Name: N-[(5-chloro-2-methoxyphenyl)methyl]-3-[(1-methyl-5-tetrazolyl)thio]-1-propanamine IUPAC Name: N-[(5-chloro-2-methoxyphenyl)methyl]-3-(1-methyltetrazol-5-yl)sulfanylpropan-1-amine Traditional Name: (5-chloro-2-methoxy-benzyl)-[3-[(1-methyltetrazol-5-yl)thio]propyl]amine Formula: C13H18ClN5OS MolecularWeight: 327.83292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SCCCNCC2=C(C=CC(=C2)Cl)OC

Isomeric SMILES

CN1C(=NN=N1)SCCCNCC2=C(C=CC(=C2)Cl)OC

InChI

InChI=1S/C13H18ClN5OS/c1-19-13(16-17-18-19)21-7-3-6-15-9-10-8-11(14)4-5-12(10)20-2/h4-5,8,15H,3,6-7,9H2,1-2H3