N-[(4-ethoxy-3-methoxy-5-prop-2-enyl-phenyl)methyl]-2-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanamine

Systemtic Name: N-[(4-ethoxy-3-methoxy-5-prop-2-enyl-phenyl)methyl]-2-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanamine Openeye Name: N-[(3-allyl-4-ethoxy-5-methoxy-phenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanyl-ethanamine CAS Name: N-[(4-ethoxy-3-methoxy-5-prop-2-enylphenyl)methyl]-2-[(1-methyl-5-tetrazolyl)thio]ethanamine IUPAC Name: N-[(4-ethoxy-3-methoxy-5-prop-2-enylphenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanylethanamine Traditional Name: (3-allyl-4-ethoxy-5-methoxy-benzyl)-[2-[(1-methyltetrazol-5-yl)thio]ethyl]amine Formula: C17H25N5O2S MolecularWeight: 363.4777

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1OC)CNCCSC2=NN=NN2C)CC=C

Isomeric SMILES

CCOC1=C(C=C(C=C1OC)CNCCSC2=NN=NN2C)CC=C

InChI

InChI=1S/C17H25N5O2S/c1-5-7-14-10-13(11-15(23-4)16(14)24-6-2)12-18-8-9-25-17-19-20-21-22(17)3/h5,10-11,18H,1,6-9,12H2,2-4H3