3-[(4-chlorophenyl)methylsulfanyl]-N-[(E)-1-naphthalen-2-ylethylideneamino]-1H-1,2,4-triazol-5-amine

Systemtic Name: 3-[(4-chlorophenyl)methylsulfanyl]-N-[(E)-1-naphthalen-2-ylethylideneamino]-1H-1,2,4-triazol-5-amine Openeye Name: 3-[(4-chlorophenyl)methylsulfanyl]-N-[(E)-1-(2-naphthyl)ethylideneamino]-1H-1,2,4-triazol-5-amine CAS Name: 3-[(4-chlorophenyl)methylthio]-N-[(E)-1-(2-naphthalenyl)ethylideneamino]-1H-1,2,4-triazol-5-amine IUPAC Name: 3-[(4-chlorophenyl)methylsulfanyl]-N-[(E)-1-naphthalen-2-ylethylideneamino]-1H-1,2,4-triazol-5-amine Traditional Name: [3-[(4-chlorobenzyl)thio]-1H-1,2,4-triazol-5-yl]-[(E)-1-(2-naphthyl)ethylideneamino]amine Formula: C21H18ClN5S MolecularWeight: 407.91912

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC1=NC(=NN1)SCC2=CC=C(C=C2)Cl)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C/C(=N\NC1=NC(=NN1)SCC2=CC=C(C=C2)Cl)/C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C21H18ClN5S/c1-14(17-9-8-16-4-2-3-5-18(16)12-17)24-25-20-23-21(27-26-20)28-13-15-6-10-19(22)11-7-15/h2-12H,13H2,1H3,(H2,23,25,26,27)/b24-14+