4-methyl-3-[(4-methylphenoxy)methyl]-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole

Systemtic Name: 4-methyl-3-[(4-methylphenoxy)methyl]-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 4-methyl-3-[(4-methylphenoxy)methyl]-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 4-methyl-3-[(4-methylphenoxy)methyl]-5-[(4-nitrophenyl)methylthio]-1,2,4-triazole IUPAC Name: 4-methyl-3-[(4-methylphenoxy)methyl]-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 4-methyl-3-[(4-methylphenoxy)methyl]-5-[(4-nitrobenzyl)thio]-1,2,4-triazole Formula: C18H18N4O3S MolecularWeight: 370.42552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCC2=NN=C(N2C)SCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)OCC2=NN=C(N2C)SCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O3S/c1-13-3-9-16(10-4-13)25-11-17-19-20-18(21(17)2)26-12-14-5-7-15(8-6-14)22(23)24/h3-10H,11-12H2,1-2H3