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

Systemtic Name: N-[(3-methoxy-2-phenylmethoxy-phenyl)methyl]-3-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]propan-1-amine Openeye Name: N-[(2-benzyloxy-3-methoxy-phenyl)methyl]-3-(1-methyltetrazol-5-yl)sulfanyl-propan-1-amine CAS Name: N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]-3-[(1-methyl-5-tetrazolyl)thio]-1-propanamine IUPAC Name: N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]-3-(1-methyltetrazol-5-yl)sulfanylpropan-1-amine Traditional Name: (2-benzoxy-3-methoxy-benzyl)-[3-[(1-methyltetrazol-5-yl)thio]propyl]amine Formula: C20H25N5O2S MolecularWeight: 399.5098

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SCCCNCC2=C(C(=CC=C2)OC)OCC3=CC=CC=C3

Isomeric SMILES

CN1C(=NN=N1)SCCCNCC2=C(C(=CC=C2)OC)OCC3=CC=CC=C3

InChI

InChI=1S/C20H25N5O2S/c1-25-20(22-23-24-25)28-13-7-12-21-14-17-10-6-11-18(26-2)19(17)27-15-16-8-4-3-5-9-16/h3-6,8-11,21H,7,12-15H2,1-2H3