2-[(4-phenyl-5-prop-2-ynylsulfanyl-1,2,4-triazol-3-yl)methylsulfanyl]-1,3-benzothiazole

Systemtic Name: 2-[(4-phenyl-5-prop-2-ynylsulfanyl-1,2,4-triazol-3-yl)methylsulfanyl]-1,3-benzothiazole Openeye Name: 2-[(4-phenyl-5-prop-2-ynylsulfanyl-1,2,4-triazol-3-yl)methylsulfanyl]-1,3-benzothiazole CAS Name: 2-[[4-phenyl-5-(prop-2-ynylthio)-1,2,4-triazol-3-yl]methylthio]-1,3-benzothiazole IUPAC Name: 2-[(4-phenyl-5-prop-2-ynylsulfanyl-1,2,4-triazol-3-yl)methylsulfanyl]-1,3-benzothiazole Traditional Name: 2-[[4-phenyl-5-(propargylthio)-1,2,4-triazol-3-yl]methylthio]-1,3-benzothiazole Formula: C19H14N4S3 MolecularWeight: 394.53626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CCSC1=NN=C(N1C2=CC=CC=C2)CSC3=NC4=CC=CC=C4S3

Isomeric SMILES

C#CCSC1=NN=C(N1C2=CC=CC=C2)CSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H14N4S3/c1-2-12-24-18-22-21-17(23(18)14-8-4-3-5-9-14)13-25-19-20-15-10-6-7-11-16(15)26-19/h1,3-11H,12-13H2