3-(4-nitrophenyl)-4-prop-2-enyl-5-[(2,4,6-trimethylphenyl)methylsulfanyl]-1,2,4-triazole

Systemtic Name: 3-(4-nitrophenyl)-4-prop-2-enyl-5-[(2,4,6-trimethylphenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 4-allyl-3-(4-nitrophenyl)-5-[(2,4,6-trimethylphenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-(4-nitrophenyl)-4-prop-2-enyl-5-[(2,4,6-trimethylphenyl)methylthio]-1,2,4-triazole IUPAC Name: 3-(4-nitrophenyl)-4-prop-2-enyl-5-[(2,4,6-trimethylphenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 4-allyl-3-(4-nitrophenyl)-5-[(2,4,6-trimethylbenzyl)thio]-1,2,4-triazole Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)CSC2=NN=C(N2CC=C)C3=CC=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)CSC2=NN=C(N2CC=C)C3=CC=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C21H22N4O2S/c1-5-10-24-20(17-6-8-18(9-7-17)25(26)27)22-23-21(24)28-13-19-15(3)11-14(2)12-16(19)4/h5-9,11-12H,1,10,13H2,2-4H3