4-[[4-azanyl-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxidanylidene-butanenitrile

Systemtic Name: 4-[[4-azanyl-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxidanylidene-butanenitrile Openeye Name: 4-[[4-amino-5-(1-naphthylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-butanenitrile CAS Name: 4-[[4-amino-5-(1-naphthalenylmethyl)-1,2,4-triazol-3-yl]thio]-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxobutanenitrile IUPAC Name: 4-[[4-amino-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxobutanenitrile Traditional Name: 4-[[4-amino-5-(1-naphthylmethyl)-1,2,4-triazol-3-yl]thio]-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-keto-butyronitrile Formula: C24H19N7OS MolecularWeight: 453.51896

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2CC3=NN=C(N3N)SCC(=O)C(=C4NC5=CC=CC=C5N4)C#N

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2CC3=NN=C(N3N)SCC(=O)C(=C4NC5=CC=CC=C5N4)C#N

InChI

InChI=1S/C24H19N7OS/c25-13-18(23-27-19-10-3-4-11-20(19)28-23)21(32)14-33-24-30-29-22(31(24)26)12-16-8-5-7-15-6-1-2-9-17(15)16/h1-11,27-28H,12,14,26H2