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

Systemtic Name: 4-[5-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-4-(phenylmethyl)-1,2,4-triazol-3-yl]pyridine Openeye Name: 4-[4-benzyl-5-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine CAS Name: 4-[5-[(2-methyl-3-nitrophenyl)methylthio]-4-(phenylmethyl)-1,2,4-triazol-3-yl]pyridine IUPAC Name: 4-[4-benzyl-5-[(2-methyl-3-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine Traditional Name: 4-[4-benzyl-5-[(2-methyl-3-nitro-benzyl)thio]-1,2,4-triazol-3-yl]pyridine Formula: C22H19N5O2S MolecularWeight: 417.48356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])CSC2=NN=C(N2CC3=CC=CC=C3)C4=CC=NC=C4

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])CSC2=NN=C(N2CC3=CC=CC=C3)C4=CC=NC=C4

InChI

InChI=1S/C22H19N5O2S/c1-16-19(8-5-9-20(16)27(28)29)15-30-22-25-24-21(18-10-12-23-13-11-18)26(22)14-17-6-3-2-4-7-17/h2-13H,14-15H2,1H3