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

Systemtic Name: N-[(3-methoxy-4-prop-2-enoxy-phenyl)methyl]-3-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]propan-1-amine Openeye Name: N-[(4-allyloxy-3-methoxy-phenyl)methyl]-3-(1-methyltetrazol-5-yl)sulfanyl-propan-1-amine CAS Name: N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]-3-[(1-methyl-5-tetrazolyl)thio]-1-propanamine IUPAC Name: N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]-3-(1-methyltetrazol-5-yl)sulfanylpropan-1-amine Traditional Name: (4-allyloxy-3-methoxy-benzyl)-[3-[(1-methyltetrazol-5-yl)thio]propyl]amine Formula: C16H23N5O2S MolecularWeight: 349.45112

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N5O2S/c1-4-9-23-14-7-6-13(11-15(14)22-3)12-17-8-5-10-24-16-18-19-20-21(16)2/h4,6-7,11,17H,1,5,8-10,12H2,2-3H3