3-(4-methyl-2-nitro-phenyl)sulfanyl-5-phenyl-1H-1,2,4-triazole

Systemtic Name: 3-(4-methyl-2-nitro-phenyl)sulfanyl-5-phenyl-1H-1,2,4-triazole Openeye Name: 3-(4-methyl-2-nitro-phenyl)sulfanyl-5-phenyl-1H-1,2,4-triazole CAS Name: 3-[(4-methyl-2-nitrophenyl)thio]-5-phenyl-1H-1,2,4-triazole IUPAC Name: 3-(4-methyl-2-nitrophenyl)sulfanyl-5-phenyl-1H-1,2,4-triazole Traditional Name: 3-[(4-methyl-2-nitro-phenyl)thio]-5-phenyl-1H-1,2,4-triazole Formula: C15H12N4O2S MolecularWeight: 312.34638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)SC2=NNC(=N2)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)SC2=NNC(=N2)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H12N4O2S/c1-10-7-8-13(12(9-10)19(20)21)22-15-16-14(17-18-15)11-5-3-2-4-6-11/h2-9H,1H3,(H,16,17,18)