[4-[[4-methyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-3-nitro-phenyl]-pyridin-2-yl-methanone

Systemtic Name: [4-[[4-methyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-3-nitro-phenyl]-pyridin-2-yl-methanone Openeye Name: [4-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-phenyl]-(2-pyridyl)methanone CAS Name: [4-[[4-methyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-3-nitrophenyl]-(2-pyridinyl)methanone IUPAC Name: [4-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrophenyl]-pyridin-2-ylmethanone Traditional Name: [4-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-phenyl]-(2-pyridyl)methanone Formula: C22H17N5O3S MolecularWeight: 431.46708

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SC2=C(C=C(C=C2)C(=O)C3=CC=CC=N3)[N+](=O)[O-])CC4=CC=CC=C4

Isomeric SMILES

CN1C(=NN=C1SC2=C(C=C(C=C2)C(=O)C3=CC=CC=N3)[N+](=O)[O-])CC4=CC=CC=C4

InChI

InChI=1S/C22H17N5O3S/c1-26-20(13-15-7-3-2-4-8-15)24-25-22(26)31-19-11-10-16(14-18(19)27(29)30)21(28)17-9-5-6-12-23-17/h2-12,14H,13H2,1H3