3-(1,3-benzothiazol-2-ylmethylsulfanyl)-4-(furan-2-ylmethyl)-1H-1,2,4-triazol-5-one

Systemtic Name: 3-(1,3-benzothiazol-2-ylmethylsulfanyl)-4-(furan-2-ylmethyl)-1H-1,2,4-triazol-5-one Openeye Name: 3-(1,3-benzothiazol-2-ylmethylsulfanyl)-4-(2-furylmethyl)-1H-1,2,4-triazol-5-one CAS Name: 3-(1,3-benzothiazol-2-ylmethylthio)-4-(2-furanylmethyl)-1H-1,2,4-triazol-5-one IUPAC Name: 3-(1,3-benzothiazol-2-ylmethylsulfanyl)-4-(furan-2-ylmethyl)-1H-1,2,4-triazol-5-one Traditional Name: 3-(1,3-benzothiazol-2-ylmethylthio)-4-(2-furfuryl)-1H-1,2,4-triazol-5-one Formula: C15H12N4O2S2 MolecularWeight: 344.41138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)CSC3=NNC(=O)N3CC4=CC=CO4

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)CSC3=NNC(=O)N3CC4=CC=CO4

InChI

InChI=1S/C15H12N4O2S2/c20-14-17-18-15(19(14)8-10-4-3-7-21-10)22-9-13-16-11-5-1-2-6-12(11)23-13/h1-7H,8-9H2,(H,17,20)