2-[[3-methyl-4-[3-(1H-1,2,4-triazol-5-ylsulfanyl)propylsulfanyl]pyridin-2-yl]methylsulfanyl]-1H-benzimidazole

Systemtic Name: 2-[[3-methyl-4-[3-(1H-1,2,4-triazol-5-ylsulfanyl)propylsulfanyl]pyridin-2-yl]methylsulfanyl]-1H-benzimidazole Openeye Name: 2-[[3-methyl-4-[3-(1H-1,2,4-triazol-5-ylsulfanyl)propylsulfanyl]-2-pyridyl]methylsulfanyl]-1H-benzimidazole CAS Name: 2-[[3-methyl-4-[3-(1H-1,2,4-triazol-5-ylthio)propylthio]-2-pyridinyl]methylthio]-1H-benzimidazole IUPAC Name: 2-[[3-methyl-4-[3-(1H-1,2,4-triazol-5-ylsulfanyl)propylsulfanyl]pyridin-2-yl]methylsulfanyl]-1H-benzimidazole Traditional Name: 2-[[3-methyl-4-[3-(1H-1,2,4-triazol-5-ylthio)propylthio]-2-pyridyl]methylthio]-1H-benzimidazole Formula: C19H20N6S3 MolecularWeight: 428.5973

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CN=C1CSC2=NC3=CC=CC=C3N2)SCCCSC4=NC=NN4

Isomeric SMILES

CC1=C(C=CN=C1CSC2=NC3=CC=CC=C3N2)SCCCSC4=NC=NN4

InChI

InChI=1S/C19H20N6S3/c1-13-16(11-28-19-23-14-5-2-3-6-15(14)24-19)20-8-7-17(13)26-9-4-10-27-18-21-12-22-25-18/h2-3,5-8,12H,4,9-11H2,1H3,(H,23,24)(H,21,22,25)