N-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[4-[[(5-methyl-1H-1,2,4-triazol-3-yl)thio]methyl]phenyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[4-[[(5-methyl-1H-1,2,4-triazol-3-yl)thio]methyl]phenyl]-piperonylamide Formula: C18H16N4O3S MolecularWeight: 368.40964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1)SCC2=CC=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=NC(=NN1)SCC2=CC=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H16N4O3S/c1-11-19-18(22-21-11)26-9-12-2-5-14(6-3-12)20-17(23)13-4-7-15-16(8-13)25-10-24-15/h2-8H,9-10H2,1H3,(H,20,23)(H,19,21,22)