3-[[5-(1,3-benzodioxol-5-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanamide

Systemtic Name: 3-[[5-(1,3-benzodioxol-5-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: 3-[[5-(1,3-benzodioxol-5-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: 3-[[5-(1,3-benzodioxol-5-yl)-4-phenyl-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: 3-[[5-(1,3-benzodioxol-5-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: 3-[[5-(1,3-benzodioxol-5-yl)-4-phenyl-1,2,4-triazol-3-yl]thio]propionamide Formula: C18H16N4O3S MolecularWeight: 368.40964

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=NN=C(N3C4=CC=CC=C4)SCCC(=O)N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=NN=C(N3C4=CC=CC=C4)SCCC(=O)N

InChI

InChI=1S/C18H16N4O3S/c19-16(23)8-9-26-18-21-20-17(22(18)13-4-2-1-3-5-13)12-6-7-14-15(10-12)25-11-24-14/h1-7,10H,8-9,11H2,(H2,19,23)