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

Systemtic Name: N-[(3-bromanyl-5-ethoxy-4-methoxy-phenyl)methyl]-3-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]propan-1-amine Openeye Name: N-[(3-bromo-5-ethoxy-4-methoxy-phenyl)methyl]-3-(1-phenyltetrazol-5-yl)sulfanyl-propan-1-amine CAS Name: N-[(3-bromo-5-ethoxy-4-methoxyphenyl)methyl]-3-[(1-phenyl-5-tetrazolyl)thio]-1-propanamine IUPAC Name: N-[(3-bromo-5-ethoxy-4-methoxyphenyl)methyl]-3-(1-phenyltetrazol-5-yl)sulfanylpropan-1-amine Traditional Name: (3-bromo-5-ethoxy-4-methoxy-benzyl)-[3-[(1-phenyltetrazol-5-yl)thio]propyl]amine Formula: C20H24BrN5O2S MolecularWeight: 478.40586

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)CNCCCSC2=NN=NN2C3=CC=CC=C3)Br)OC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)CNCCCSC2=NN=NN2C3=CC=CC=C3)Br)OC

InChI

InChI=1S/C20H24BrN5O2S/c1-3-28-18-13-15(12-17(21)19(18)27-2)14-22-10-7-11-29-20-23-24-25-26(20)16-8-5-4-6-9-16/h4-6,8-9,12-13,22H,3,7,10-11,14H2,1-2H3