N-[2-(3,4-diethoxyphenyl)ethyl]-2-[5-(4-methylsulfanylphenyl)-1,2,3,4-tetrazol-2-yl]ethanamide

Systemtic Name: N-[2-(3,4-diethoxyphenyl)ethyl]-2-[5-(4-methylsulfanylphenyl)-1,2,3,4-tetrazol-2-yl]ethanamide Openeye Name: N-[2-(3,4-diethoxyphenyl)ethyl]-2-[5-(4-methylsulfanylphenyl)tetrazol-2-yl]acetamide CAS Name: N-[2-(3,4-diethoxyphenyl)ethyl]-2-[5-[4-(methylthio)phenyl]-2-tetrazolyl]acetamide IUPAC Name: N-[2-(3,4-diethoxyphenyl)ethyl]-2-[5-(4-methylsulfanylphenyl)tetrazol-2-yl]acetamide Traditional Name: N-[2-(3,4-diethoxyphenyl)ethyl]-2-[5-[4-(methylthio)phenyl]tetrazol-2-yl]acetamide Formula: C22H27N5O3S MolecularWeight: 441.54648

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CCNC(=O)CN2N=C(N=N2)C3=CC=C(C=C3)SC)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CCNC(=O)CN2N=C(N=N2)C3=CC=C(C=C3)SC)OCC

InChI

InChI=1S/C22H27N5O3S/c1-4-29-19-11-6-16(14-20(19)30-5-2)12-13-23-21(28)15-27-25-22(24-26-27)17-7-9-18(31-3)10-8-17/h6-11,14H,4-5,12-13,15H2,1-3H3,(H,23,28)