3-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-5-phenethyl-4-phenyl-1,2,4-triazole

Systemtic Name: 3-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-5-phenethyl-4-phenyl-1,2,4-triazole Openeye Name: 3-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-5-phenethyl-4-phenyl-1,2,4-triazole CAS Name: 3-[(4-methoxy-3-nitrophenyl)methylthio]-5-phenethyl-4-phenyl-1,2,4-triazole IUPAC Name: 3-[(4-methoxy-3-nitrophenyl)methylsulfanyl]-5-phenethyl-4-phenyl-1,2,4-triazole Traditional Name: 3-[(4-methoxy-3-nitro-benzyl)thio]-5-phenethyl-4-phenyl-1,2,4-triazole Formula: C24H22N4O3S MolecularWeight: 446.52148

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSC2=NN=C(N2C3=CC=CC=C3)CCC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)CSC2=NN=C(N2C3=CC=CC=C3)CCC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H22N4O3S/c1-31-22-14-12-19(16-21(22)28(29)30)17-32-24-26-25-23(15-13-18-8-4-2-5-9-18)27(24)20-10-6-3-7-11-20/h2-12,14,16H,13,15,17H2,1H3