3-[(5-methyl-2-propan-2-yl-phenoxy)methyl]-5-[(4-nitrophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole

Systemtic Name: 3-[(5-methyl-2-propan-2-yl-phenoxy)methyl]-5-[(4-nitrophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-[(2-isopropyl-5-methyl-phenoxy)methyl]-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-[(5-methyl-2-propan-2-ylphenoxy)methyl]-5-[(4-nitrophenyl)methylthio]-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-[(5-methyl-2-propan-2-ylphenoxy)methyl]-5-[(4-nitrophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-[(2-isopropyl-5-methyl-phenoxy)methyl]-5-[(4-nitrobenzyl)thio]-1,2,4-triazole Formula: C23H26N4O3S MolecularWeight: 438.54254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OCC2=NN=C(N2CC=C)SCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OCC2=NN=C(N2CC=C)SCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H26N4O3S/c1-5-12-26-22(14-30-21-13-17(4)6-11-20(21)16(2)3)24-25-23(26)31-15-18-7-9-19(10-8-18)27(28)29/h5-11,13,16H,1,12,14-15H2,2-4H3