(2Z)-5-methyl-2-[5-(phenylmethylsulfanyl)-4-propan-2-yl-1,2-dihydropyrazol-3-ylidene]benzimidazole

Systemtic Name: (2Z)-5-methyl-2-[5-(phenylmethylsulfanyl)-4-propan-2-yl-1,2-dihydropyrazol-3-ylidene]benzimidazole Openeye Name: (2Z)-2-(5-benzylsulfanyl-4-isopropyl-1,2-dihydropyrazol-3-ylidene)-5-methyl-benzimidazole CAS Name: (2Z)-5-methyl-2-[5-(phenylmethylthio)-4-propan-2-yl-1,2-dihydropyrazol-3-ylidene]benzimidazole IUPAC Name: (2Z)-2-(5-benzylsulfanyl-4-propan-2-yl-1,2-dihydropyrazol-3-ylidene)-5-methylbenzimidazole Traditional Name: (2Z)-2-[5-(benzylthio)-4-isopropyl-3-pyrazolin-3-ylidene]-5-methyl-benzimidazole Formula: C21H22N4S MolecularWeight: 362.49118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NC(=C3C(=C(NN3)SCC4=CC=CC=C4)C(C)C)N=C2C=C1

Isomeric SMILES

CC1=CC2=N/C(=C\3/C(=C(NN3)SCC4=CC=CC=C4)C(C)C)/N=C2C=C1

InChI

InChI=1S/C21H22N4S/c1-13(2)18-19(20-22-16-10-9-14(3)11-17(16)23-20)24-25-21(18)26-12-15-7-5-4-6-8-15/h4-11,13,24-25H,12H2,1-3H3/b20-19-