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

Systemtic Name: N-[(3-ethoxy-4-methoxy-phenyl)methyl]-3-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]propan-1-amine Openeye Name: N-[(3-ethoxy-4-methoxy-phenyl)methyl]-3-(1-phenyltetrazol-5-yl)sulfanyl-propan-1-amine CAS Name: N-[(3-ethoxy-4-methoxyphenyl)methyl]-3-[(1-phenyl-5-tetrazolyl)thio]-1-propanamine IUPAC Name: N-[(3-ethoxy-4-methoxyphenyl)methyl]-3-(1-phenyltetrazol-5-yl)sulfanylpropan-1-amine Traditional Name: (3-ethoxy-4-methoxy-benzyl)-[3-[(1-phenyltetrazol-5-yl)thio]propyl]amine Formula: C20H25N5O2S MolecularWeight: 399.5098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N5O2S/c1-3-27-19-14-16(10-11-18(19)26-2)15-21-12-7-13-28-20-22-23-24-25(20)17-8-5-4-6-9-17/h4-6,8-11,14,21H,3,7,12-13,15H2,1-2H3