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

Systemtic Name: 3-(1,3-benzothiazol-2-ylmethylsulfanyl)-5-[(4-chloranylphenoxy)methyl]-1,2,4-triazol-4-amine Openeye Name: 3-(1,3-benzothiazol-2-ylmethylsulfanyl)-5-[(4-chlorophenoxy)methyl]-1,2,4-triazol-4-amine CAS Name: 3-(1,3-benzothiazol-2-ylmethylthio)-5-[(4-chlorophenoxy)methyl]-1,2,4-triazol-4-amine IUPAC Name: 3-(1,3-benzothiazol-2-ylmethylsulfanyl)-5-[(4-chlorophenoxy)methyl]-1,2,4-triazol-4-amine Traditional Name: [3-(1,3-benzothiazol-2-ylmethylthio)-5-[(4-chlorophenoxy)methyl]-1,2,4-triazol-4-yl]amine Formula: C17H14ClN5OS2 MolecularWeight: 403.90896

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)CSC3=NN=C(N3N)COC4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)CSC3=NN=C(N3N)COC4=CC=C(C=C4)Cl

InChI

InChI=1S/C17H14ClN5OS2/c18-11-5-7-12(8-6-11)24-9-15-21-22-17(23(15)19)25-10-16-20-13-3-1-2-4-14(13)26-16/h1-8H,9-10,19H2