3-[(4-chloranylphenoxy)methyl]-5-(naphthalen-1-ylmethylsulfanyl)-1,2,4-triazol-4-amine

Systemtic Name: 3-[(4-chloranylphenoxy)methyl]-5-(naphthalen-1-ylmethylsulfanyl)-1,2,4-triazol-4-amine Openeye Name: 3-[(4-chlorophenoxy)methyl]-5-(1-naphthylmethylsulfanyl)-1,2,4-triazol-4-amine CAS Name: 3-[(4-chlorophenoxy)methyl]-5-(1-naphthalenylmethylthio)-1,2,4-triazol-4-amine IUPAC Name: 3-[(4-chlorophenoxy)methyl]-5-(naphthalen-1-ylmethylsulfanyl)-1,2,4-triazol-4-amine Traditional Name: [3-[(4-chlorophenoxy)methyl]-5-(1-naphthylmethylthio)-1,2,4-triazol-4-yl]amine Formula: C20H17ClN4OS MolecularWeight: 396.89318

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2CSC3=NN=C(N3N)COC4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2CSC3=NN=C(N3N)COC4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H17ClN4OS/c21-16-8-10-17(11-9-16)26-12-19-23-24-20(25(19)22)27-13-15-6-3-5-14-4-1-2-7-18(14)15/h1-11H,12-13,22H2