N-[4-[5-(1,3-benzodioxol-5-yl)-3-methoxy-1,2,4-triazol-1-yl]phenyl]-2-phenyl-ethanethioamide

Systemtic Name: N-[4-[5-(1,3-benzodioxol-5-yl)-3-methoxy-1,2,4-triazol-1-yl]phenyl]-2-phenyl-ethanethioamide Openeye Name: N-[4-[5-(1,3-benzodioxol-5-yl)-3-methoxy-1,2,4-triazol-1-yl]phenyl]-2-phenyl-thioacetamide CAS Name: N-[4-[5-(1,3-benzodioxol-5-yl)-3-methoxy-1,2,4-triazol-1-yl]phenyl]-2-phenylethanethioamide IUPAC Name: N-[4-[5-(1,3-benzodioxol-5-yl)-3-methoxy-1,2,4-triazol-1-yl]phenyl]-2-phenylethanethioamide Traditional Name: N-[4-[5-(1,3-benzodioxol-5-yl)-3-methoxy-1,2,4-triazol-1-yl]phenyl]-2-phenyl-thioacetamide Formula: C24H20N4O3S MolecularWeight: 444.5056

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NN(C(=N1)C2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)NC(=S)CC5=CC=CC=C5

Isomeric SMILES

COC1=NN(C(=N1)C2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)NC(=S)CC5=CC=CC=C5

InChI

InChI=1S/C24H20N4O3S/c1-29-24-26-23(17-7-12-20-21(14-17)31-15-30-20)28(27-24)19-10-8-18(9-11-19)25-22(32)13-16-5-3-2-4-6-16/h2-12,14H,13,15H2,1H3,(H,25,32)