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

Systemtic Name: 3-[(3,4-dichlorophenyl)methylsulfanyl]-5-(4-nitrophenyl)-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-[(3,4-dichlorophenyl)methylsulfanyl]-5-(4-nitrophenyl)-1,2,4-triazole CAS Name: 3-[(3,4-dichlorophenyl)methylthio]-5-(4-nitrophenyl)-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-[(3,4-dichlorophenyl)methylsulfanyl]-5-(4-nitrophenyl)-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-[(3,4-dichlorobenzyl)thio]-5-(4-nitrophenyl)-1,2,4-triazole Formula: C18H14Cl2N4O2S MolecularWeight: 421.30036

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC2=CC(=C(C=C2)Cl)Cl)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C=CCN1C(=NN=C1SCC2=CC(=C(C=C2)Cl)Cl)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H14Cl2N4O2S/c1-2-9-23-17(13-4-6-14(7-5-13)24(25)26)21-22-18(23)27-11-12-3-8-15(19)16(20)10-12/h2-8,10H,1,9,11H2