2-[[5-(1,3-benzodioxol-5-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(2-cyanophenyl)methylideneamino]ethanamide

Systemtic Name: 2-[[5-(1,3-benzodioxol-5-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(2-cyanophenyl)methylideneamino]ethanamide Openeye Name: 2-[[5-(1,3-benzodioxol-5-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(2-cyanophenyl)methyleneamino]acetamide CAS Name: 2-[[5-(1,3-benzodioxol-5-yl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-[(E)-(2-cyanophenyl)methylideneamino]acetamide IUPAC Name: 2-[[5-(1,3-benzodioxol-5-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(2-cyanophenyl)methylideneamino]acetamide Traditional Name: 2-[[5-(1,3-benzodioxol-5-yl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-[(E)-(2-cyanobenzylidene)amino]acetamide Formula: C25H18N6O3S MolecularWeight: 482.51382

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=NN=C(N3C4=CC=CC=C4)SCC(=O)NN=CC5=CC=CC=C5C#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=NN=C(N3C4=CC=CC=C4)SCC(=O)N/N=C/C5=CC=CC=C5C#N

InChI

InChI=1S/C25H18N6O3S/c26-13-18-6-4-5-7-19(18)14-27-28-23(32)15-35-25-30-29-24(31(25)20-8-2-1-3-9-20)17-10-11-21-22(12-17)34-16-33-21/h1-12,14H,15-16H2,(H,28,32)/b27-14+