4-[bis[5-(2,4-dinitrophenyl)sulfanyl-1H-pyrrol-2-yl]methyl]pyridine

Systemtic Name: 4-[bis[5-(2,4-dinitrophenyl)sulfanyl-1H-pyrrol-2-yl]methyl]pyridine Openeye Name: 4-[bis[5-(2,4-dinitrophenyl)sulfanyl-1H-pyrrol-2-yl]methyl]pyridine CAS Name: 4-[bis[5-[(2,4-dinitrophenyl)thio]-1H-pyrrol-2-yl]methyl]pyridine IUPAC Name: 4-[bis[5-(2,4-dinitrophenyl)sulfanyl-1H-pyrrol-2-yl]methyl]pyridine Traditional Name: 4-[bis[5-[(2,4-dinitrophenyl)thio]-1H-pyrrol-2-yl]methyl]pyridine Formula: C26H17N7O8S2 MolecularWeight: 619.58528

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])SC2=CC=C(N2)C(C3=CC=NC=C3)C4=CC=C(N4)SC5=C(C=C(C=C5)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])SC2=CC=C(N2)C(C3=CC=NC=C3)C4=CC=C(N4)SC5=C(C=C(C=C5)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C26H17N7O8S2/c34-30(35)16-1-5-22(20(13-16)32(38)39)42-24-7-3-18(28-24)26(15-9-11-27-12-10-15)19-4-8-25(29-19)43-23-6-2-17(31(36)37)14-21(23)33(40)41/h1-14,26,28-29H