3-(3,4-dichlorophenyl)-5-(naphthalen-1-ylmethylsulfanyl)-4-prop-2-enyl-1,2,4-triazole

Systemtic Name: 3-(3,4-dichlorophenyl)-5-(naphthalen-1-ylmethylsulfanyl)-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-(3,4-dichlorophenyl)-5-(1-naphthylmethylsulfanyl)-1,2,4-triazole CAS Name: 3-(3,4-dichlorophenyl)-5-(1-naphthalenylmethylthio)-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-(3,4-dichlorophenyl)-5-(naphthalen-1-ylmethylsulfanyl)-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-(3,4-dichlorophenyl)-5-(1-naphthylmethylthio)-1,2,4-triazole Formula: C22H17Cl2N3S MolecularWeight: 426.36148

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC2=CC=CC3=CC=CC=C32)C4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

C=CCN1C(=NN=C1SCC2=CC=CC3=CC=CC=C32)C4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C22H17Cl2N3S/c1-2-12-27-21(16-10-11-19(23)20(24)13-16)25-26-22(27)28-14-17-8-5-7-15-6-3-4-9-18(15)17/h2-11,13H,1,12,14H2