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

Systemtic Name: 2-[[5-(naphthalen-1-ylmethylsulfanyl)-4-phenyl-1,2,4-triazol-3-yl]methylsulfanyl]-1,3-benzothiazole Openeye Name: 2-[[5-(1-naphthylmethylsulfanyl)-4-phenyl-1,2,4-triazol-3-yl]methylsulfanyl]-1,3-benzothiazole CAS Name: 2-[[5-(1-naphthalenylmethylthio)-4-phenyl-1,2,4-triazol-3-yl]methylthio]-1,3-benzothiazole IUPAC Name: 2-[[5-(naphthalen-1-ylmethylsulfanyl)-4-phenyl-1,2,4-triazol-3-yl]methylsulfanyl]-1,3-benzothiazole Traditional Name: 2-[[5-(1-naphthylmethylthio)-4-phenyl-1,2,4-triazol-3-yl]methylthio]-1,3-benzothiazole Formula: C27H20N4S3 MolecularWeight: 496.6695

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=CC4=CC=CC=C43)CSC5=NC6=CC=CC=C6S5

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=CC4=CC=CC=C43)CSC5=NC6=CC=CC=C6S5

InChI

InChI=1S/C27H20N4S3/c1-2-12-21(13-3-1)31-25(18-33-27-28-23-15-6-7-16-24(23)34-27)29-30-26(31)32-17-20-11-8-10-19-9-4-5-14-22(19)20/h1-16H,17-18H2