3-[4-(furan-2-ylmethyl)-5-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine

Systemtic Name: 3-[4-(furan-2-ylmethyl)-5-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine Openeye Name: 3-[4-(2-furylmethyl)-5-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine CAS Name: 3-[4-(2-furanylmethyl)-5-[(2-methyl-3-nitrophenyl)methylthio]-1,2,4-triazol-3-yl]pyridine IUPAC Name: 3-[4-(furan-2-ylmethyl)-5-[(2-methyl-3-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine Traditional Name: 3-[4-(2-furfuryl)-5-[(2-methyl-3-nitro-benzyl)thio]-1,2,4-triazol-3-yl]pyridine Formula: C20H17N5O3S MolecularWeight: 407.44568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])CSC2=NN=C(N2CC3=CC=CO3)C4=CN=CC=C4

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])CSC2=NN=C(N2CC3=CC=CO3)C4=CN=CC=C4

InChI

InChI=1S/C20H17N5O3S/c1-14-16(5-2-8-18(14)25(26)27)13-29-20-23-22-19(15-6-3-9-21-11-15)24(20)12-17-7-4-10-28-17/h2-11H,12-13H2,1H3