3-[5-(2,4-dinitrophenyl)sulfanyl-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine

Systemtic Name: 3-[5-(2,4-dinitrophenyl)sulfanyl-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine Openeye Name: 3-[5-(2,4-dinitrophenyl)sulfanyl-4-(2-furylmethyl)-1,2,4-triazol-3-yl]pyridine CAS Name: 3-[5-[(2,4-dinitrophenyl)thio]-4-(2-furanylmethyl)-1,2,4-triazol-3-yl]pyridine IUPAC Name: 3-[5-(2,4-dinitrophenyl)sulfanyl-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine Traditional Name: 3-[5-[(2,4-dinitrophenyl)thio]-4-(2-furfuryl)-1,2,4-triazol-3-yl]pyridine Formula: C18H12N6O5S MolecularWeight: 424.39008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C2=NN=C(N2CC3=CC=CO3)SC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CN=C1)C2=NN=C(N2CC3=CC=CO3)SC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H12N6O5S/c25-23(26)13-5-6-16(15(9-13)24(27)28)30-18-21-20-17(12-3-1-7-19-10-12)22(18)11-14-4-2-8-29-14/h1-10H,11H2