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

Systemtic Name: N-[(3-bromanyl-5-ethoxy-4-methoxy-phenyl)methyl]-3-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]propan-1-amine Openeye Name: N-[(3-bromo-5-ethoxy-4-methoxy-phenyl)methyl]-3-(1-methyltetrazol-5-yl)sulfanyl-propan-1-amine CAS Name: N-[(3-bromo-5-ethoxy-4-methoxyphenyl)methyl]-3-[(1-methyl-5-tetrazolyl)thio]-1-propanamine IUPAC Name: N-[(3-bromo-5-ethoxy-4-methoxyphenyl)methyl]-3-(1-methyltetrazol-5-yl)sulfanylpropan-1-amine Traditional Name: (3-bromo-5-ethoxy-4-methoxy-benzyl)-[3-[(1-methyltetrazol-5-yl)thio]propyl]amine Formula: C15H22BrN5O2S MolecularWeight: 416.33648

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)CNCCCSC2=NN=NN2C)Br)OC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)CNCCCSC2=NN=NN2C)Br)OC

InChI

InChI=1S/C15H22BrN5O2S/c1-4-23-13-9-11(8-12(16)14(13)22-3)10-17-6-5-7-24-15-18-19-20-21(15)2/h8-9,17H,4-7,10H2,1-3H3