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

Systemtic Name: 3-(1,3-benzothiazol-2-ylmethylsulfanyl)-5-(2-methylphenyl)-1,2,4-triazol-4-amine Openeye Name: 3-(1,3-benzothiazol-2-ylmethylsulfanyl)-5-(o-tolyl)-1,2,4-triazol-4-amine CAS Name: 3-(1,3-benzothiazol-2-ylmethylthio)-5-(2-methylphenyl)-1,2,4-triazol-4-amine IUPAC Name: 3-(1,3-benzothiazol-2-ylmethylsulfanyl)-5-(2-methylphenyl)-1,2,4-triazol-4-amine Traditional Name: [3-(1,3-benzothiazol-2-ylmethylthio)-5-(o-tolyl)-1,2,4-triazol-4-yl]amine Formula: C17H15N5S2 MolecularWeight: 353.4645

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NN=C(N2N)SCC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC=CC=C1C2=NN=C(N2N)SCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C17H15N5S2/c1-11-6-2-3-7-12(11)16-20-21-17(22(16)18)23-10-15-19-13-8-4-5-9-14(13)24-15/h2-9H,10,18H2,1H3