3-(1,3-benzothiazol-2-ylmethylsulfanyl)-5-(3-chlorophenyl)-1,2,4-triazol-4-amine

Systemtic Name: 3-(1,3-benzothiazol-2-ylmethylsulfanyl)-5-(3-chlorophenyl)-1,2,4-triazol-4-amine Openeye Name: 3-(1,3-benzothiazol-2-ylmethylsulfanyl)-5-(3-chlorophenyl)-1,2,4-triazol-4-amine CAS Name: 3-(1,3-benzothiazol-2-ylmethylthio)-5-(3-chlorophenyl)-1,2,4-triazol-4-amine IUPAC Name: 3-(1,3-benzothiazol-2-ylmethylsulfanyl)-5-(3-chlorophenyl)-1,2,4-triazol-4-amine Traditional Name: [3-(1,3-benzothiazol-2-ylmethylthio)-5-(3-chlorophenyl)-1,2,4-triazol-4-yl]amine Formula: C16H12ClN5S2 MolecularWeight: 373.88298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12ClN5S2/c17-11-5-3-4-10(8-11)15-20-21-16(22(15)18)23-9-14-19-12-6-1-2-7-13(12)24-14/h1-8H,9,18H2