3-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-4-amine

Systemtic Name: 3-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-4-amine Openeye Name: 3-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-5-(1-naphthylmethyl)-1,2,4-triazol-4-amine CAS Name: 3-[(2-chloro-6-fluorophenyl)methylthio]-5-(1-naphthalenylmethyl)-1,2,4-triazol-4-amine IUPAC Name: 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-4-amine Traditional Name: [3-[(2-chloro-6-fluoro-benzyl)thio]-5-(1-naphthylmethyl)-1,2,4-triazol-4-yl]amine Formula: C20H16ClFN4S MolecularWeight: 398.884243

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2CC3=NN=C(N3N)SCC4=C(C=CC=C4Cl)F

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2CC3=NN=C(N3N)SCC4=C(C=CC=C4Cl)F

InChI

InChI=1S/C20H16ClFN4S/c21-17-9-4-10-18(22)16(17)12-27-20-25-24-19(26(20)23)11-14-7-3-6-13-5-1-2-8-15(13)14/h1-10H,11-12,23H2