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

Systemtic Name: N-[(3-ethoxy-4-phenylmethoxy-phenyl)methyl]-3-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]propan-1-amine Openeye Name: N-[(4-benzyloxy-3-ethoxy-phenyl)methyl]-3-(1-methyltetrazol-5-yl)sulfanyl-propan-1-amine CAS Name: N-[(3-ethoxy-4-phenylmethoxyphenyl)methyl]-3-[(1-methyl-5-tetrazolyl)thio]-1-propanamine IUPAC Name: N-[(3-ethoxy-4-phenylmethoxyphenyl)methyl]-3-(1-methyltetrazol-5-yl)sulfanylpropan-1-amine Traditional Name: (4-benzoxy-3-ethoxy-benzyl)-[3-[(1-methyltetrazol-5-yl)thio]propyl]amine Formula: C21H27N5O2S MolecularWeight: 413.53638

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)CNCCCSC2=NN=NN2C)OCC3=CC=CC=C3

Isomeric SMILES

CCOC1=C(C=CC(=C1)CNCCCSC2=NN=NN2C)OCC3=CC=CC=C3

InChI

InChI=1S/C21H27N5O2S/c1-3-27-20-14-18(10-11-19(20)28-16-17-8-5-4-6-9-17)15-22-12-7-13-29-21-23-24-25-26(21)2/h4-6,8-11,14,22H,3,7,12-13,15-16H2,1-2H3