3-[(5-chloranylquinolin-8-yl)methylsulfanyl]-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-4-amine

Systemtic Name: 3-[(5-chloranylquinolin-8-yl)methylsulfanyl]-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-4-amine Openeye Name: 3-[(5-chloro-8-quinolyl)methylsulfanyl]-5-(1-naphthylmethyl)-1,2,4-triazol-4-amine CAS Name: 3-[(5-chloro-8-quinolinyl)methylthio]-5-(1-naphthalenylmethyl)-1,2,4-triazol-4-amine IUPAC Name: 3-[(5-chloroquinolin-8-yl)methylsulfanyl]-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-4-amine Traditional Name: [3-[(5-chloro-8-quinolyl)methylthio]-5-(1-naphthylmethyl)-1,2,4-triazol-4-yl]amine Formula: C23H18ClN5S MolecularWeight: 431.94052

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2CC3=NN=C(N3N)SCC4=C5C(=C(C=C4)Cl)C=CC=N5

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2CC3=NN=C(N3N)SCC4=C5C(=C(C=C4)Cl)C=CC=N5

InChI

InChI=1S/C23H18ClN5S/c24-20-11-10-17(22-19(20)9-4-12-26-22)14-30-23-28-27-21(29(23)25)13-16-7-3-6-15-5-1-2-8-18(15)16/h1-12H,13-14,25H2