3-[(3-methylphenoxy)methyl]-6-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

Systemtic Name: 3-[(3-methylphenoxy)methyl]-6-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole Openeye Name: 3-[(3-methylphenoxy)methyl]-6-(4,5,6,7-tetrahydrobenzothiophen-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole CAS Name: 3-[(3-methylphenoxy)methyl]-6-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole IUPAC Name: 3-[(3-methylphenoxy)methyl]-6-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole Traditional Name: 3-[(3-methylphenoxy)methyl]-6-(4,5,6,7-tetrahydrobenzothiophen-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole Formula: C19H18N4OS2 MolecularWeight: 382.50242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC2=NN=C3N2N=C(S3)C4=CSC5=C4CCCC5

Isomeric SMILES

CC1=CC(=CC=C1)OCC2=NN=C3N2N=C(S3)C4=CSC5=C4CCCC5

InChI

InChI=1S/C19H18N4OS2/c1-12-5-4-6-13(9-12)24-10-17-20-21-19-23(17)22-18(26-19)15-11-25-16-8-3-2-7-14(15)16/h4-6,9,11H,2-3,7-8,10H2,1H3