N-(1,3-benzodioxol-5-ylmethyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-piperonyl-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]thio]acetamide Formula: C17H15N5O3S MolecularWeight: 369.3977

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)CSC3=NNC(=N3)C4=CC=NC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)CSC3=NNC(=N3)C4=CC=NC=C4

InChI

InChI=1S/C17H15N5O3S/c23-15(19-8-11-1-2-13-14(7-11)25-10-24-13)9-26-17-20-16(21-22-17)12-3-5-18-6-4-12/h1-7H,8-10H2,(H,19,23)(H,20,21,22)