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

Systemtic Name: 3-[(3,4-dichlorophenyl)methylsulfanyl]-4-prop-2-enyl-5-(thiophen-2-ylmethyl)-1,2,4-triazole Openeye Name: 4-allyl-3-[(3,4-dichlorophenyl)methylsulfanyl]-5-(2-thienylmethyl)-1,2,4-triazole CAS Name: 3-[(3,4-dichlorophenyl)methylthio]-4-prop-2-enyl-5-(thiophen-2-ylmethyl)-1,2,4-triazole IUPAC Name: 3-[(3,4-dichlorophenyl)methylsulfanyl]-4-prop-2-enyl-5-(thiophen-2-ylmethyl)-1,2,4-triazole Traditional Name: 4-allyl-3-[(3,4-dichlorobenzyl)thio]-5-(2-thenyl)-1,2,4-triazole Formula: C17H15Cl2N3S2 MolecularWeight: 396.3571

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC2=CC(=C(C=C2)Cl)Cl)CC3=CC=CS3

Isomeric SMILES

C=CCN1C(=NN=C1SCC2=CC(=C(C=C2)Cl)Cl)CC3=CC=CS3

InChI

InChI=1S/C17H15Cl2N3S2/c1-2-7-22-16(10-13-4-3-8-23-13)20-21-17(22)24-11-12-5-6-14(18)15(19)9-12/h2-6,8-9H,1,7,10-11H2