N-[(E)-pyren-1-ylmethylideneamino]-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanamide

Systemtic Name: N-[(E)-pyren-1-ylmethylideneamino]-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanamide Openeye Name: N-[(E)-pyren-1-ylmethyleneamino]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide CAS Name: N-[(E)-1-pyrenylmethylideneamino]-2-(1H-1,2,4-triazol-5-ylthio)acetamide IUPAC Name: N-[(E)-pyren-1-ylmethylideneamino]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide Traditional Name: N-[(E)-pyren-1-ylmethyleneamino]-2-(1H-1,2,4-triazol-5-ylthio)acetamide Formula: C21H15N5OS MolecularWeight: 385.4417

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)C=NNC(=O)CSC5=NC=NN5

Isomeric SMILES

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)/C=N/NC(=O)CSC5=NC=NN5

InChI

InChI=1S/C21H15N5OS/c27-18(11-28-21-22-12-24-26-21)25-23-10-16-7-6-15-5-4-13-2-1-3-14-8-9-17(16)20(15)19(13)14/h1-10,12H,11H2,(H,25,27)(H,22,24,26)/b23-10+