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

Systemtic Name: 2-methyl-4-[3-(3-nitro-4-phenylsulfanyl-phenyl)-1H-1,2,4-triazol-5-yl]pyridine Openeye Name: 2-methyl-4-[3-(3-nitro-4-phenylsulfanyl-phenyl)-1H-1,2,4-triazol-5-yl]pyridine CAS Name: 2-methyl-4-[3-[3-nitro-4-(phenylthio)phenyl]-1H-1,2,4-triazol-5-yl]pyridine IUPAC Name: 2-methyl-4-[3-(3-nitro-4-phenylsulfanylphenyl)-1H-1,2,4-triazol-5-yl]pyridine Traditional Name: 2-methyl-4-[3-[3-nitro-4-(phenylthio)phenyl]-1H-1,2,4-triazol-5-yl]pyridine Formula: C20H15N5O2S MolecularWeight: 389.4304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CC(=C1)C2=NC(=NN2)C3=CC(=C(C=C3)SC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=CC(=C1)C2=NC(=NN2)C3=CC(=C(C=C3)SC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H15N5O2S/c1-13-11-15(9-10-21-13)20-22-19(23-24-20)14-7-8-18(17(12-14)25(26)27)28-16-5-3-2-4-6-16/h2-12H,1H3,(H,22,23,24)