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

Systemtic Name: 2-[(4-azanyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-benzodioxol-5-yl)ethanamide Openeye Name: 2-[[4-amino-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3-benzodioxol-5-yl)acetamide CAS Name: 2-[(4-amino-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-N-(1,3-benzodioxol-5-yl)acetamide IUPAC Name: 2-[(4-amino-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-benzodioxol-5-yl)acetamide Traditional Name: 2-[[4-amino-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(1,3-benzodioxol-5-yl)acetamide Formula: C16H14N6O3S MolecularWeight: 370.38576

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=NN=C(N3N)C4=CC=NC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=NN=C(N3N)C4=CC=NC=C4

InChI

InChI=1S/C16H14N6O3S/c17-22-15(10-3-5-18-6-4-10)20-21-16(22)26-8-14(23)19-11-1-2-12-13(7-11)25-9-24-12/h1-7H,8-9,17H2,(H,19,23)