2-[[5-[(4-ethylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-benzothiazole

Systemtic Name: 2-[[5-[(4-ethylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-benzothiazole Openeye Name: 2-[[4-allyl-5-[(4-ethylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-benzothiazole CAS Name: 2-[[[5-[(4-ethylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]methyl]-1,3-benzothiazole IUPAC Name: 2-[[5-[(4-ethylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-benzothiazole Traditional Name: 2-[[[4-allyl-5-[(4-ethylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]methyl]-1,3-benzothiazole Formula: C22H22N4OS2 MolecularWeight: 422.56628

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCC2=NN=C(N2CC=C)SCC3=NC4=CC=CC=C4S3

Isomeric SMILES

CCC1=CC=C(C=C1)OCC2=NN=C(N2CC=C)SCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H22N4OS2/c1-3-13-26-20(14-27-17-11-9-16(4-2)10-12-17)24-25-22(26)28-15-21-23-18-7-5-6-8-19(18)29-21/h3,5-12H,1,4,13-15H2,2H3