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

Systemtic Name: N-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]-3-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]propan-1-amine Openeye Name: N-[(4-benzyloxy-3-methoxy-phenyl)methyl]-3-(1-methyltetrazol-5-yl)sulfanyl-propan-1-amine CAS Name: N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-[(1-methyl-5-tetrazolyl)thio]-1-propanamine IUPAC Name: N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-(1-methyltetrazol-5-yl)sulfanylpropan-1-amine Traditional Name: (4-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=CC(=C(C=C2)OCC3=CC=CC=C3)OC

Isomeric SMILES

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

InChI

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