3-[(E)-2-(5-nitrofuran-2-yl)ethenyl]sulfanyl-5,6-diphenyl-1,2,4-triazine

Systemtic Name: 3-[(E)-2-(5-nitrofuran-2-yl)ethenyl]sulfanyl-5,6-diphenyl-1,2,4-triazine Openeye Name: 3-[(E)-2-(5-nitro-2-furyl)vinyl]sulfanyl-5,6-diphenyl-1,2,4-triazine CAS Name: 3-[[(E)-2-(5-nitro-2-furanyl)ethenyl]thio]-5,6-diphenyl-1,2,4-triazine IUPAC Name: 3-[(E)-2-(5-nitrofuran-2-yl)ethenyl]sulfanyl-5,6-diphenyl-1,2,4-triazine Traditional Name: 3-[[(E)-2-(5-nitro-2-furyl)vinyl]thio]-5,6-diphenyl-1,2,4-triazine Formula: C21H14N4O3S MolecularWeight: 402.42586

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(N=NC(=N2)SC=CC3=CC=C(O3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=C(N=NC(=N2)S/C=C/C3=CC=C(O3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C21H14N4O3S/c26-25(27)18-12-11-17(28-18)13-14-29-21-22-19(15-7-3-1-4-8-15)20(23-24-21)16-9-5-2-6-10-16/h1-14H/b14-13+