5,6-dimethyl-2-(5-phenethylsulfanyl-1,2-dihydropyrazol-3-ylidene)benzimidazole

Systemtic Name: 5,6-dimethyl-2-(5-phenethylsulfanyl-1,2-dihydropyrazol-3-ylidene)benzimidazole Openeye Name: 5,6-dimethyl-2-(5-phenethylsulfanyl-1,2-dihydropyrazol-3-ylidene)benzimidazole CAS Name: 5,6-dimethyl-2-[5-(phenethylthio)-1,2-dihydropyrazol-3-ylidene]benzimidazole IUPAC Name: 5,6-dimethyl-2-(5-phenethylsulfanyl-1,2-dihydropyrazol-3-ylidene)benzimidazole Traditional Name: 5,6-dimethyl-2-[5-(phenethylthio)-3-pyrazolin-3-ylidene]benzimidazole Formula: C20H20N4S MolecularWeight: 348.4646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NC(=C3C=C(NN3)SCCC4=CC=CC=C4)N=C2C=C1C

Isomeric SMILES

CC1=CC2=NC(=C3C=C(NN3)SCCC4=CC=CC=C4)N=C2C=C1C

InChI

InChI=1S/C20H20N4S/c1-13-10-16-17(11-14(13)2)22-20(21-16)18-12-19(24-23-18)25-9-8-15-6-4-3-5-7-15/h3-7,10-12,23-24H,8-9H2,1-2H3