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

Systemtic Name: N-[(5-bromanyl-2-ethoxy-phenyl)methyl]-3-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]propan-1-amine Openeye Name: N-[(5-bromo-2-ethoxy-phenyl)methyl]-3-(1-phenyltetrazol-5-yl)sulfanyl-propan-1-amine CAS Name: N-[(5-bromo-2-ethoxyphenyl)methyl]-3-[(1-phenyl-5-tetrazolyl)thio]-1-propanamine IUPAC Name: N-[(5-bromo-2-ethoxyphenyl)methyl]-3-(1-phenyltetrazol-5-yl)sulfanylpropan-1-amine Traditional Name: (5-bromo-2-ethoxy-benzyl)-[3-[(1-phenyltetrazol-5-yl)thio]propyl]amine Formula: C19H22BrN5OS MolecularWeight: 448.37988

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22BrN5OS/c1-2-26-18-10-9-16(20)13-15(18)14-21-11-6-12-27-19-22-23-24-25(19)17-7-4-3-5-8-17/h3-5,7-10,13,21H,2,6,11-12,14H2,1H3